SCHEMBL6096142

SCHEMBL6096142

Cc1cc(-c2ccccc2)nn1-c1ccc(CCO)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
LDHA P00338 1/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPT P10636 5/20 0.43
STAT1 P42224 1/20 0.43
TDP1 Q9NUW8 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL6098852 0.84 CA1 (0.52) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL6098171 0.83 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL5301151 0.82 RAB9A (0.58) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL6098089 0.79 MAPT (0.50) ALDH1A1MAPTTDP1KDM4EHPGD
SCHEMBL18134654 0.78 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL6096458 0.78 NPC1 (0.68) NPC1RAB9ACA1CA2CA9
SCHEMBL6099458 0.75 MAPT (0.49) CA1CA2CA9MAPTTDP1
SCHEMBL6098575 0.75 CYP1A2 (0.53) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL6100393 0.74 CDK8 (0.43) MAPTPTGS2
SCHEMBL6096423 0.73 USP1 (0.45) MAPTPTGS2CYP2C9

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 SMN1; SMN2 4491/4885NPC1 2334/4885RAB9A 3940/4885

“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.