SCHEMBL345941

SCHEMBL345941

Fc1ccc(-c2nn[c]o2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.54
RAB9A P51151 5/20 0.54
NOTUM Q6P988 2/20 0.47
TSHR P16473 2/20 0.46
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 2/20 0.44
USP2 O75604 1/20 0.44
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
ATM Q13315 1/20 0.37
ACHE P22303 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ADCY1 Q08828 2/20 0.36
APAF1 O14727 1/20 0.34
GRK2 P25098 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
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
SCHEMBL7223282 0.79 NPC1 (0.47) NPC1RAB9ANOTUMTSHRTP53
SCHEMBL344372 0.79 NPC1 (0.46) NPC1RAB9ANOTUMTSHRTP53
SCHEMBL8631839 0.79 RAB9A (0.43) NPC1RAB9ATP53SMN1; SMN2HSD17B10
SCHEMBL209522 0.79 RAB9A (0.54) NPC1RAB9ANOTUMTP53SMN1; SMN2
SCHEMBL5945926 0.79 NPC1 (0.44) NPC1RAB9ANOTUMSMN1; SMN2HSD17B10
SCHEMBL2360245 0.75 NPC1 (0.50) NPC1RAB9ANOTUMTSHRTP53
SCHEMBL3621627 0.75 APP (0.50) NPC1RAB9ANOTUMTSHRTP53
SCHEMBL345944 0.75 NPC1 (0.51) NPC1RAB9ANOTUMTP53SMN1; SMN2
SCHEMBL11219018 0.75 NOTUM (0.53) NPC1NOTUMMAOAMAOB
SCHEMBL3620750 0.74 NOTUM (0.48) NOTUMSMN1; SMN2ACHEHDAC1HDAC8

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180327396-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-11-15 US claimed
US-20160376262-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-12-29 US claimed
JP-3880051-B2 2007-02-14 JP claimed
US-7138400-B2 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME LIMITED (GB) 2006-11-21 US claimed
EP-1334085-B1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME (GB) 2005-08-24 EP claimed
JP-2004513108-A 2004-04-30 JP claimed
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME (UK) LIMITED (GB) 2004-03-11 US claimed
EP-1334085-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LTD. (GB) 2003-08-13 EP claimed
WO-2002036555-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-10 WO claimed
EP-3573611-B1 AMIDE COMPOUNDS AND USE THEREOF ALPHALA CO LTD (TW) 2022-01-12 EP disclosed
CN-110846675-B Synthetic method of 2- (5-aryl-1, 3, 4-oxadiazole-2-yl) aniline compound 阜阳师范大学 2021-05-28 CN disclosed
CN-110846675-A Synthetic method of 2- (5-aryl-1, 3, 4-oxadiazole-2-yl) aniline compound 阜阳师范大学 2020-02-28 CN disclosed
US-20180327396-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-11-15 US disclosed
US-20160376262-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-12-29 US disclosed
US-RE35754-E FOR TREATING BACTERIAL INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
US-5710146-A ANTIBIOTICS FOR BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
US-4399131-A Cephem derivatives HOECHST AG (DE) 1983-08-16 US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US 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 (3 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-20040049038-A1 Sulfamides as gamma-secretase inhibitors BACE1, BACE2, PSEN1 NPC1 2360/4885RAB9A 3262/4885NOTUM 411/4885
US-20180327396-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 NPC1 1807/4885RAB9A 2378/4885NOTUM 3969/4885
US-20160376262-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 NPC1 1807/4885RAB9A 2378/4885NOTUM 3969/4885

“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.