SCHEMBL6095734

SCHEMBL6095734

Cc1c(-c2ccccc2)c(C(C)(C)C)nn1-c1ccc(CCO)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
PTGS2 P35354 2/20 0.37
NR3C1 P04150 1/20 0.37
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL6098136 0.89 CYP2C19 (0.42) CYP1A2PTGS2NR3C1MEN1KMT2A
SCHEMBL6097264 0.85 CYP1A2 (0.40) CYP1A2NPC1RAB9AMEN1KMT2A
SCHEMBL6098575 0.84 CYP1A2 (0.53) CYP1A2NR3C1NPC1RAB9ATDP1
SCHEMBL6096475 0.81 GCGR (0.40) CYP1A2PTGS2NR3C1NPC1RAB9A
SCHEMBL6097712 0.79 PTGS2 (0.38) CYP1A2PTGS2NR3C1NPC1RAB9A
SCHEMBL6097494 0.78 HSD11B1 (0.44) CYP1A2NR3C1
SCHEMBL6096303 0.77 CYP1A2 (0.45) CYP1A2PTGS2NPC1RAB9AMEN1
SCHEMBL6096869 0.74 POLB (0.51) PTGS2NPC1RAB9ATDP1MEN1
SCHEMBL6097549 0.74 CYP1A2 (0.56) CYP1A2PTGS2NR3C1NPC1RAB9A
SCHEMBL6095952 0.73 POLB (0.44) CYP1A2PTGS2NPC1RAB9AMEN1

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 CYP1A2 670/4885PTGS2 10/4885NR3C1 340/4885

“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.