SCHEMBL6096757

SCHEMBL6096757

NCCc1ccc(-n2nc(C(F)(F)F)c(-c3ccccc3)c2N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.52
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
PTGS2 P35354 4/20 0.40
PTGS1 P23219 2/20 0.40
ALDH1A1 P00352 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MAOB P27338 2/20 0.39
SRC P12931 2/20 0.39
BRAF P15056 2/20 0.39
KDR P35968 2/20 0.39
TAAR1 Q96RJ0 2/20 0.39
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GRIA2 P42262 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
SCHEMBL6096869 0.89 POLB (0.51) POLBSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6096303 0.86 CYP1A2 (0.45) POLBSMN1; SMN2NPC1RAB9APTGS2
SCHEMBL6098508 0.86 POLB (0.53) POLBSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6096343 0.81 POLB (0.46) POLBSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6097893 0.78 TAAR1 (0.43) POLBSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6097954 0.74 PTGS2 (0.41) POLBSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6098136 0.74 CYP2C19 (0.42) POLBPTGS2PTGS1ALDH1A1CYP2C9
SCHEMBL6097275 0.73 PTGS1 (0.70) PTGS2PTGS1CYP2C9
SCHEMBL6176854 0.73 POLB (0.53) POLBSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13300321 0.73 POLB (0.64) POLBSMN1; SMN2NPC1RAB9AMAPT

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 4327/4885SMN1; SMN2 4491/4885NPC1 2334/4885

“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.