SCHEMBL533306

SCHEMBL533306

[c]1ccc(-c2ccccc2)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2E1 P05181 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
DDAH1 O94760 1/20 0.34
KMT2A Q03164 2/20 0.33
HPGD P15428 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NOTUM Q6P988 2/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31

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
SCHEMBL769225 0.78
SCHEMBL5324357 0.76 ESR1 (0.43) ALDH1A1RAB9ANPC1CYP3A4ALOX15
SCHEMBL511496 0.76 LMNA (0.41) ALDH1A1RAB9ANPC1CYP2C19DDAH1
SCHEMBL512928 0.76 NOTUM (0.42) ALDH1A1RAB9ANPC1CYP2A6HPGD
SCHEMBL21295791 0.76 MAPT (0.43) ALDH1A1RAB9ANPC1CYP3A4CYP2D6
SCHEMBL3608419 0.76 GAA (0.41) ALDH1A1RAB9ANPC1CYP2A6TSHR
SCHEMBL2462291 0.74 CYP2A6 (0.52) ALDH1A1RAB9ANPC1CYP3A4CYP2E1
SCHEMBL5474340 0.74 NR4A1 (0.44) NOTUMGABRPGABRDGABRA1GABRB1
SCHEMBL5327871 0.72 KIF11 (0.43) ALDH1A1CYP3A4CYP2E1CYP2D6CYP2A6
SCHEMBL314750 0.72 EGFR (0.47) ALDH1A1RAB9ANPC1CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105980386-B Pyrazolo compounds and uses thereof 基因泰克公司 2021-08-13 CN claimed
EP-2970307-B1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-03-11 EP claimed
US-10035801-B2 Pyrazolo compounds and uses thereof GENENTECH, INC. (US) 2018-07-31 US claimed
EP-1294699-B1 MODULATORS OF TNF- ALPHA SIGNALLING GENZYME CORP (US) 2016-04-13 EP claimed
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-03-03 US claimed
EP-2970307-A1 PYRAZOLO COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2016-01-20 EP claimed
WO-2015135094-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2015-09-17 WO claimed
EP-2421852-B9 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2015-07-01 EP claimed
WO-2014139326-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-09-18 WO claimed
US-8815839-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-08-26 US claimed
WO-2000061134-A9 ANTIMICROBIAL AGENTS BRITISH BIOTECH PHARM (GB) 2004-04-22 WO claimed
US-6716878-B1 BACTERICIDE, ANTIPROTOZOAL; VANCOMYCIN RESISTANT ENTEROCOCCI AND BETA-LACTAM ANTIBIOTIC-RESISTANT BACTERIA, METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS; HYDROXAMIC ACID AND N-FORMYL SUBTITUTED ALKYLAMIDES VERNALIS (OXFORD) LIMITED (GB) 2004-04-06 US claimed
WO-2004017911-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-04 WO claimed
WO-2003059911-A2 4-OXO-4, 7-DIHYDROFURO[2,3-b]PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO claimed
EP-1294699-A2 MODULATORS OF TNF- ALPHA SIGNALLING GENZYME CORPORATION (US) 2003-03-26 EP claimed
JP-2002541197-A 2002-12-03 JP claimed
US-20020119988-A1 Antiinflammatory agents GENZYME CORPORATION 2002-08-29 US claimed
EP-1169031-A1 ANTIMICROBIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-01-09 EP claimed
WO-2001087849-A2 MODULATORS OF TNF- ALPHA SIGNALING GENZYME CORPORATION (US) 2001-11-22 WO claimed
WO-2000061134-A1 ANTIMICROBIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-10-19 WO 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-10035801-B2 Pyrazolo compounds and uses thereof KDM5A, KDM5C, KDM5B ALDH1A1 1424/4885RAB9A 3592/4885NPC1 2336/4885
US-20020119988-A1 Antiinflammatory agents TNF, TNFRSF1A, CD40 ALDH1A1 603/4885RAB9A 4348/4885NPC1 2949/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B ALDH1A1 1424/4885RAB9A 3592/4885NPC1 2336/4885

“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.