SCHEMBL1546047

SCHEMBL1546047

Fc1ccc(-c2n[c]no2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
NOTUM Q6P988 2/20 0.42
TP53 P04637 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.37
TDO2 P48775 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
ACHE P22303 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5552360 0.79 NPC1 (0.42) NPC1RAB9ANOTUMTP53SMN1; SMN2
SCHEMBL3965118 0.79 LMNA (0.44) NPC1RAB9ANOTUMSMN1; SMN2HSD17B10
SCHEMBL6135425 0.75 RAB9A (0.46) NPC1RAB9ANOTUMTP53SMN1; SMN2
SCHEMBL5548958 0.75 NOTUM (0.49) NOTUMMAOAMAOB
SCHEMBL2333242 0.75 NPC1 (0.47) NPC1RAB9ANOTUMTP53SMN1; SMN2
SCHEMBL4773008 0.68 NPC1 (0.46) NPC1RAB9ANOTUMTP53SMN1; SMN2
SCHEMBL4159658 0.67 CHRNB2 (0.51) NPC1RAB9ATP53SMN1; SMN2TSHR
SCHEMBL5543822 0.67 NPC1 (0.48) NPC1RAB9ANOTUMTP53SMN1; SMN2
SCHEMBL19347424 0.67 RAB9A (0.40) NPC1RAB9ANOTUMSMN1; SMN2KDM4E
SCHEMBL5553581 0.66 NPC1 (0.50) NPC1RAB9ANOTUMTP53SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 41 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110372626-B Method for preparing 1,2, 4-oxadiazole compound 河南大学 2022-11-08 CN claimed
EP-1789053-B1 METHOD OF WOUND HEALING USING A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES INC (US) 2012-06-13 EP claimed
US-20100105706-A1 METHOD OF PREVENTING AND TREATING AIRWAY REMODELING AND PULMONARY INFLAMMATION USING A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD PALO ALTO, INC. (US) 2010-04-29 US claimed
CN-100467469-C A2BAdenosine receptor antagonists CV THERAPEUTICS INC (US) 2009-03-11 CN claimed
CN-101043889-A Using A2BMethod of promoting wound healing with adenosine receptor antagonists CV THERAPEUTICS INC (US) 2007-09-26 CN claimed
CN-101039677-A Using A2BMethod for preventing and treating airway remodeling and pulmonary inflammation by adenosine receptor antagonist CV THERAPEUTICS INC (US) 2007-09-19 CN claimed
EP-1799221-A1 METHOD OF PREVENTING AND TREATING AIRWAY REMODELING AND PULMONARY INFLAMMATION USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2007-06-27 EP claimed
EP-1789053-A2 METHOD OF WOUND HEALING USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2007-05-30 EP claimed
US-7105665-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2006-09-12 US claimed
US-20060159627-A1 Method of preventing and treating airway remodeling and pulmonary inflammation using A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2006-07-20 US claimed
WO-2006044610-A1 METHOD OF PREVENTING AND TREATING AIRWAY REMODELING AND PULMONARY INFLAMMATION USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC (US) 2006-04-27 WO claimed
US-20060058322-A1 Method of wound healing using A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2006-03-16 US claimed
WO-2006028810-A2 METHOD OF WOUND HEALING USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-03-16 WO claimed
CN-1585769-A A2b adenosine receptor antagonists CV THERAPEUTICS INC (US) 2005-02-23 CN claimed
US-20050038045-A1 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. 2005-02-17 US claimed
US-6825349-B2 PURINE DERIVATIVES FOR TREATMENT OF GASTROINTESTINAL DISORDERS, IMMUNOLOGICAL DISORDERS, NEUROLOGICAL DISORDERS CV THERAPEUTICS INC. 2004-11-30 US claimed
EP-1444233-A2 A 2B? ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-08-11 EP claimed
US-20030139428-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-07-24 US claimed
WO-2003042214-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-05-22 WO claimed
CN-110372626-B Method for preparing 1,2, 4-oxadiazole compound 河南大学 2022-11-08 CN disclosed
CN-106279056-B (5-aryl-1, 2, 4-oxadiazole-3-yl) (3,4, 5-trimethoxyphenyl) -methanol, -ketone oxime compound and application thereof 沈阳药科大学 2019-12-10 CN disclosed
US-20170073339-A1 PYRIDINE DERIVATIVES ENDO PHARMACEUTICALS, INC. 2017-03-16 US disclosed
US-9371316-B2 Pyridine derivatives ASANA BIOSCIENCES, LLC (US) 2016-06-21 US disclosed
US-20140364462-A1 PYRIDINE DERIVATIVES ASANA BIOSCIENCES, LLC 2014-12-11 US disclosed
EP-2760833-A1 PYRIDINE DERIVATIVES Endo Pharmaceuticals Inc. (US) 2014-08-06 EP disclosed
WO-2013049559-A1 PYRIDINE DERIVATIVES ENDO PHARMACEUTICALS INC. (US) 2013-04-04 WO disclosed
US-8242103-B2 Sulphamides for treatment of cancer MERCK SHARP & DOHME LIMITED (GB) 2012-08-14 US disclosed
EP-2311462-A1 Method of preventing and treating airway remodeling and pulmonary inflammation using A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2011-04-20 EP disclosed
US-20090197904-A1 Sulphamides for Treatment of Cancer MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-08-06 US disclosed
US-7482448-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-01-27 US disclosed
EP-1885349-A2 SULPHAMIDES FOR TREATMENT OF CANCER Merck Sharp & Dohme Limited (GB) 2008-02-13 EP disclosed
WO-2006123185-A2 SULPHAMIDES FOR TREATMENT OF CANCER MERCK SHARP & DOHME LIMITED (GB) 2006-11-23 WO disclosed
US-7138400-B2 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME LIMITED (GB) 2006-11-21 US disclosed
US-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-08-24 US disclosed
EP-1682524-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2006-07-26 EP disclosed
EP-1334085-B1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME (GB) 2005-08-24 EP disclosed
WO-2005040142-A9 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMA INC (US) 2005-06-09 WO disclosed
WO-2005040142-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-05-06 WO disclosed
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME (UK) LIMITED (GB) 2004-03-11 US disclosed
EP-1334085-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LTD. (GB) 2003-08-13 EP disclosed
WO-2002036555-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-10 WO disclosed
WO-2002036555-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170073339-A1 PYRIDINE DERIVATIVES CYP21A2, CYP26A1, CYP11B1 NPC1 2391/4885RAB9A 3120/4885NOTUM 2320/4885
US-20050038045-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 NPC1 2104/4885RAB9A 1841/4885NOTUM 3708/4885
US-20140364462-A1 PYRIDINE DERIVATIVES CYP21A2, CYP26A1, CYP11B1 NPC1 2391/4885RAB9A 3120/4885NOTUM 2320/4885
US-20090197904-A1 Sulphamides for Treatment of Cancer SDHA, SDHB, BRDT NPC1 3909/4885RAB9A 3104/4885NOTUM 1384/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 NPC1 2057/4885RAB9A 1699/4885NOTUM 3850/4885
US-20100105706-A1 METHOD OF PREVENTING AND TREATING AIRWAY REMODELING AND PULMONARY INFLAMMATION USING A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 NPC1 1966/4885RAB9A 2329/4885NOTUM 3625/4885
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors BACE1, BACE2, PSEN1 NPC1 2360/4885RAB9A 3262/4885NOTUM 411/4885
US-20060058322-A1 Method of wound healing using A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 NPC1 4181/4885RAB9A 1909/4885NOTUM 4178/4885
US-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors CTSB, CTSS, CTSK NPC1 59/4885RAB9A 419/4885NOTUM 1854/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.