SCHEMBL795461

SCHEMBL795461

[c]1noc(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.44
RAB9A P51151 8/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
NR1H4 Q96RI1 2/20 0.43
NOTUM Q6P988 5/20 0.39
ATAD2 Q6PL18 1/20 0.38
NFKB1 P19838 3/20 0.36
NFKB2 Q00653 3/20 0.36
RELA Q04206 3/20 0.36
HPGD P15428 3/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
HSD17B10 Q99714 2/20 0.35

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
SCHEMBL3475309 0.80 TP53 (0.46) NPC1RAB9ASMN1; SMN2NOTUMATAD2
SCHEMBL1546047 0.78 NPC1 (0.48) NPC1RAB9ASMN1; SMN2NOTUMALOX15
SCHEMBL5552360 0.78 NPC1 (0.42) NPC1RAB9ASMN1; SMN2NR1H4NOTUM
SCHEMBL4159658 0.78 CHRNB2 (0.51) NPC1RAB9ASMN1; SMN2HPGDALOX15
SCHEMBL5553615 0.77 NOTUM (0.49) NOTUMMEN1KMT2AALDH1A1KDM4E
SCHEMBL5553581 0.77 NPC1 (0.50) NPC1RAB9ASMN1; SMN2NOTUMNFKB1
SCHEMBL5552349 0.77 RAB9A (0.50) NPC1RAB9ASMN1; SMN2NOTUMHPGD
SCHEMBL3965118 0.74 LMNA (0.44) NPC1RAB9ASMN1; SMN2NOTUMHPGD
SCHEMBL6135425 0.74 RAB9A (0.46) NPC1RAB9ASMN1; SMN2NR1H4NOTUM
SCHEMBL2333242 0.74 NPC1 (0.47) NPC1RAB9ASMN1; SMN2NR1H4NOTUM

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 322 patents — showing the first 20. 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
CN-107889487-B Bicyclic tetrahydrothiazepine derivatives for the treatment of tumor and/or infectious diseases 阿派隆生物制剂股份公司 2021-09-03 CN claimed
US-10472341-B2 Bicyclic tetrahydrothiazepine derivatives useful for the treatment of neoplastic and/or infectious diseases APEIRON BIOLOGICS AG (AT) 2019-11-12 US claimed
US-20180170888-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEOPLASTIC AND/OR INFECTIOUS DISEASES APEIRON BIOLOGICS GMBH (AT) 2018-06-21 US claimed
EP-3265463-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEOPLASTIC AND/OR INFECTIOUS DISEASES Apeiron Biologics AG (AT) 2018-01-10 EP claimed
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US claimed
CN-102725290-A Fused heterocyclic compounds as ion channel modulators GILEAD PALO ALTO INC 2012-10-10 CN claimed
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US claimed
EP-2279173-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-02 EP claimed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 US claimed
WO-1999058504-A1 NOVEL 1,2,5-TRISUBSTITUTED 1,2-DIHYDRO-INDAZOL-3-ONES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY, IMMUNO-MODULATING AND NEURO-PROTECTIVE EFFECT, METHOD FOR THE PRODUCTION AND USE THEREOF AS A MEDICAMENT ARZNEIMITTELWERK DRESDEN GMBH (DE) 1999-11-18 WO claimed
WO-1999045006-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER INC. (US) 1999-09-10 WO claimed
US-5728704-A INHIBITS SORBITOL DEHYDROGENASE PFIZER INC. (US) 1998-03-17 US claimed
EP-0662962-A1 SUBSTITUTED PYRIMIDINES FOR CONTROL OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1995-07-19 EP claimed
EP-0401981-B1 Pyridazinone deriratives PFIZER (US) 1995-04-26 EP claimed
WO-1994007867-A1 SUBSTITUTED PYRIMIDINES FOR CONTROL OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1994-04-14 WO claimed
EP-0582643-A1 PYRIDAZINONE ACETIC ACIDS PFIZER INC. (US) 1994-02-16 EP claimed
WO-1992017446-A2 PYRIDAZINONE ACETIC ACIDS ALDOSE REDUCTASE INHIBITORS PFIZER INC. (US) 1992-10-15 WO claimed
US-4996204-A Antidiabetic agents PFIZER INC. (US) 1991-02-26 US claimed
EP-0401981-A1 Pyridazinone deriratives PFIZER INC. (US) 1990-12-12 EP claimed

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

For each of this compound's patents that has machine-readable text (4 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-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES ARNT, AHR, CYP27A1 NPC1 190/4885RAB9A 4614/4885SMN1; SMN2 3310/4885
US-10472341-B2 Bicyclic tetrahydrothiazepine derivatives useful for the treatment of neoplastic and/or infectious diseases CCNT2, HRH4, HRH3 NPC1 563/4885RAB9A 3560/4885SMN1; SMN2 3392/4885
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS SULT2A1, UGT1A1, SLC5A1 NPC1 1879/4885RAB9A 2091/4885SMN1; SMN2 2627/4885
US-20180170888-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEOPLASTIC AND/OR INFECTIOUS DISEASES CCNT2, HRH4, HRH3 NPC1 563/4885RAB9A 3560/4885SMN1; SMN2 3392/4885

“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.