SCHEMBL114271

SCHEMBL114271

CC(=O)Nc1ccccn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.70
RAB9A P51151 7/20 0.70
PKM P14618 2/20 0.70
GAA P10253 1/20 0.66
SMN1; SMN2 Q16637 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
ADORA3 P0DMS8 1/20 0.59
PIM1 P11309 1/20 0.59
ADORA2A P29274 1/20 0.59
ADORA2B P29275 1/20 0.59
ADORA1 P30542 1/20 0.59
FLT3 P36888 1/20 0.59
PIM3 Q86V86 1/20 0.59
AURKB Q96GD4 1/20 0.59
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 1/20 0.57
HTT P42858 1/20 0.57
POLB P06746 1/20 0.57
LMNA P02545 1/20 0.56

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
SCHEMBL29740123 1.00 NPC1 (0.70) NPC1RAB9APKMGAASMN1; SMN2
Hydrochloric Acid SCHEMBL29440615 0.98 NPC1 (0.68) NPC1RAB9APKMGAASMN1; SMN2
Bromide SCHEMBL11460022 0.98 NPC1 (0.68) NPC1RAB9APKMGAASMN1; SMN2
Bicarbonate SCHEMBL4653075 0.96 RAB9A (0.66) NPC1RAB9APKMGAASMN1; SMN2
SCHEMBL28116585 0.94 GAA (0.65) NPC1RAB9APKMGAASMN1; SMN2
Pyridine SCHEMBL2156456 0.93 RAB9A (0.61) NPC1RAB9APKMGAASMN1; SMN2
Pyrrole SCHEMBL28303547 0.89 GAA (0.59) NPC1RAB9APKMGAASMN1; SMN2
Trifluoroacetic Acid SCHEMBL29744959 0.88 KDM4E (0.58) NPC1RAB9APKMGAASMN1; SMN2
Trifluoroacetic Acid SCHEMBL29744737 0.88 KDM4E (0.58) NPC1RAB9APKMGAASMN1; SMN2
Boric Acid SCHEMBL28837445 0.87 NPC1 (0.54) NPC1RAB9APKMGAASMN1; 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 598 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3723754-B1 IMIDAZO [1,2-C] QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME LLC (US) 2026-05-13 EP claimed
CN-119707964-A Preparation method of (8-bromoindolizine-3-yl) (3, 4, 5-trifluoro phenyl) ketone 无锡科华生物科技有限公司 2025-03-28 CN claimed
CN-114901277-B Isoindolinone and indazole compounds for EGFR degradation C4医药公司 2024-05-17 CN claimed
EP-3675858-B1 IMIDAZO[1,5-A]PYRAZINE COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION OPTIKIRA LLC (US) 2023-04-26 EP claimed
CN-111254713-B High-whiteness high-ultraviolet-reflectivity snow coating and preparation method thereof 薛德兴 2023-03-31 CN claimed
CN-115210339-A Etching solution for titanium nitride and molybdenum conductive metal wires 弗萨姆材料美国有限责任公司 2022-10-18 CN claimed
CN-114045009-B Liquid crystal polymer film and film antenna made of same 浙江甬川聚嘉新材料科技有限公司 2022-09-20 CN claimed
CN-114901277-A Isoindolinone and indazole compounds for EGFR degradation C4医药公司 2022-08-12 CN claimed
CN-114045009-A Liquid crystal polymer film and film antenna made of same 浙江甬川聚嘉新材料科技有限公司 2022-02-15 CN claimed
CN-111254713-A High-whiteness high-ultraviolet-reflectivity snow coating and preparation method thereof 江阴市中强科技有限公司 2020-06-09 CN claimed
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2003-11-27 US claimed
US-6586421-B2 For therapy of central nervous system, including diseases, disorders, and conditions related to, such as anxiety, depression, hypertension, migraine, obesity, compulsive disorders, schizophrenia, autism, neurodegenerative disorders PHARMACIA & UPJOHN COMPANY 2003-07-01 US claimed
EP-1319004-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
US-20020107278-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2002-08-08 US claimed
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 US claimed
WO-2002024701-A2 SUBSTITUTED AZEPINO[4,5B)INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO claimed
WO-2002024700-A2 SUBSTITUTED AZEPINO[4,5b]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO claimed
EP-0204535-B1 N-FLUOROPYRIDINIUM SALT AND PROCESS FOR PREPARING SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-08-19 EP claimed
EP-0450180-A2 Process for the preparation of aminoethanol derivatives BAYER AG (DE) 1991-10-09 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 (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-20020107278-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E NPC1 1345/4885RAB9A 698/4885PKM 3637/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E NPC1 1345/4885RAB9A 698/4885PKM 3637/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 NPC1 1176/4885RAB9A 751/4885PKM 3291/4885

“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.