SCHEMBL6096869

SCHEMBL6096869

Nc1c(-c2ccccc2)c(C(F)(F)F)nn1-c1ccc(CCO)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.51
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
PTGS2 P35354 4/20 0.41
PTGS1 P23219 2/20 0.40
ALDH1A1 P00352 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GRIA2 P42262 1/20 0.38
SRC P12931 2/20 0.38
BRAF P15056 2/20 0.38
KDR P35968 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL6096757 0.89 POLB (0.52) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6098136 0.85 CYP2C19 (0.42) POLBPTGS2PTGS1ALDH1A1CYP2C9
SCHEMBL6098508 0.85 POLB (0.53) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6096343 0.80 POLB (0.46) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6097893 0.79 TAAR1 (0.43) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6096303 0.76 CYP1A2 (0.45) POLBNPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL6097954 0.75 PTGS2 (0.41) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6095734 0.74 CYP1A2 (0.38) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL6096145 0.74 CA1 (0.52) SMN1; SMN2PTGS2PTGS1ALDH1A1NFKB1
SCHEMBL6097735 0.72 PTGS1 (0.70) PTGS2PTGS1CYP2C9

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 POLB 4327/4885NPC1 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.