SCHEMBL6096813

SCHEMBL6096813

[CH2]Cc1ccc(-n2nc(C)cc2-c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.71
RAB9A P51151 1/20 0.71
ALOX5 P09917 1/20 0.60
ALDH1A1 P00352 4/20 0.59
PTGS2 P35354 4/20 0.59
HPGD P15428 3/20 0.59
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP2C9 P11712 1/20 0.56
RECQL P46063 1/20 0.56
MAPT P10636 3/20 0.50
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPK1 P28482 2/20 0.46
USP2 O75604 1/20 0.46
FCGR1A P12314 1/20 0.46
TP53 P04637 1/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
RPA1 P27694 1/20 0.43

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
SCHEMBL6675016 0.85 NPC1 (0.71) NPC1RAB9AALOX5ALDH1A1PTGS2
SCHEMBL10645870 0.84 NPC1 (1.00) NPC1RAB9AALOX5ALDH1A1PTGS2
SCHEMBL6100051 0.84 USP8 (0.52) NPC1RAB9AALDH1A1HPGDCYP2C9
SCHEMBL6096458 0.83 NPC1 (0.68) NPC1RAB9AALOX5ALDH1A1PTGS2
SCHEMBL10194259 0.83 NPC1 (0.83) NPC1RAB9AALOX5ALDH1A1PTGS2
SCHEMBL12361461 0.81 NPC1 (0.93) NPC1RAB9AALOX5ALDH1A1PTGS2
SCHEMBL5698704 0.80 NPC1 (0.78) NPC1RAB9AALOX5ALDH1A1PTGS2
SCHEMBL11382119 0.80 NPC1 (0.78) NPC1RAB9AALOX5ALDH1A1PTGS2
SCHEMBL12759783 0.80 NPC1 (0.78) NPC1RAB9AALOX5ALDH1A1PTGS2
SCHEMBL6098326 0.79 PTGS1 (0.74) PTGS2CYP2C9MAPTPTGS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001917-B2 Pyrazole compounds as anti-inflammatory and analgesic agents WARNER LAMBERT COMPANY LLC (US) 2006-02-21 US disclosed
EP-1495005-A1 PYRAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS Pfizer Japan Inc. (JP) 2005-01-12 EP disclosed
US-20040019045-A1 2-(4-(4-(4-Fluorophenyl)-3,5-imethyl-1H-pyrazol-1-yl)phenyl) ethyl (4-methylphenyl)sulfonylcarbamate ammonium salt, e.g., as an antagonist for Prostoglandin E receptor; analgesics; antipyretics; antiinflammatory agents HIRANO MISATO (JP) 2004-01-29 US disclosed
WO-2003087061-A1 PYRAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER JAPAN INC. (JP) 2003-10-23 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 (1 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-20040019045-A1 2-(4-(4-(4-Fluorophenyl)-3,5-imethyl-1H-pyrazol-1-yl)phenyl) ethyl (4-methylphenyl)sulfonylcarbamate ammonium salt, e.g., as an antagonist for Prostoglandin E receptor; analgesics; antipyretics; antiinflammatory agents PTGER1, PTGS1, PTGIR NPC1 2334/4885RAB9A 3940/4885ALOX5 766/4885

“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.