SCHEMBL6096848

SCHEMBL6096848

Cc1nn(-c2ccc(CC#N)cn2)c(C)c1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 1/20 0.38
FLT3 P36888 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX15 P16050 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.35
USP7 Q93009 1/20 0.35
HTT P42858 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 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
SCHEMBL6096779 0.84 NPC1 (0.40) KDM4ESMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL6097884 0.81 CYP1A2 (0.43) KDM4ESMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL6100490 0.78 NPC1 (0.39) KDM4ESMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL3683672 0.73 ALDH1A1 (0.50) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6100494 0.72 CHRNB2 (0.43) KDM4ESMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL6097690 0.71 MEN1 (0.53) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1289901 0.68 CYP11B1 (0.54) SMN1; SMN2NPC1RAB9AFLT3LMNA
SCHEMBL31500060 0.67 SMN1; SMN2 (0.69) KDM4ESMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL6097575 0.67 CYP1A2 (0.56) KDM4ESMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL23842630 0.66 EGLN1 (0.41) KDM4EALDH1A1MAPK1LMNAEGLN1

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 KDM4E 624/4885SMN1; 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.