SCHEMBL6097502

SCHEMBL6097502

Cc1nn(-c2ccc(CCCl)cc2)c(C)c1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
GRM4 Q14833 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6096823 0.89 CYP1A2 (0.56) CYP1A2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6098338 0.88 CYP1A2 (0.55) CYP1A2NPC1RAB9ASMN1; SMN2GAA
SCHEMBL6097555 0.86 CYP1A2 (0.72) CYP1A2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL6098575 0.86 CYP1A2 (0.53) CYP1A2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6096828 0.86 CYP1A2 (0.60) CYP1A2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6097575 0.83 CYP1A2 (0.56) CYP1A2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6097885 0.83 CYP1A2 (0.56) CYP1A2RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL6094567 0.82 KDM4E (0.50) CYP1A2SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL6096723 0.82 CYP1A2 (0.45) CYP1A2MAPTALDH1A1KDM4ENPSR1
SCHEMBL31500060 0.82 SMN1; SMN2 (0.69) CYP1A2NPC1RAB9ASMN1; SMN2MAPT

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 670/4885NPC1 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.