SCHEMBL6094567

SCHEMBL6094567

CCOc1ccc(-c2c(C)nn(-c3ccc(CCCl)cc3)c2C)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
CYP1A2 P05177 1/20 0.50
HPGD P15428 1/20 0.50
CACNA2D1 P54289 8/20 0.44
CACNA2D2 Q9NY47 4/20 0.44
PRNP P04156 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
THRB P10828 1/20 0.41

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
SCHEMBL6096794 0.88 CYP1A2 (0.56) KDM4EALDH1A1MAPTCYP1A2HPGD
SCHEMBL6095421 0.88 CYP1A2 (0.50) KDM4EALDH1A1MAPTCYP1A2HPGD
SCHEMBL6096068 0.85 CYP1A2 (0.52) KDM4EALDH1A1MAPTCYP1A2HPGD
SCHEMBL6096823 0.85 CYP1A2 (0.56) KDM4EALDH1A1MAPTCYP1A2SMN1; SMN2
SCHEMBL6098338 0.84 CYP1A2 (0.55) CYP1A2SMN1; SMN2
SCHEMBL6097555 0.83 CYP1A2 (0.72) CYP1A2SMN1; SMN2
SCHEMBL6097502 0.82 CYP1A2 (0.53) KDM4EALDH1A1MAPTCYP1A2SMN1; SMN2
SCHEMBL6097885 0.77 CYP1A2 (0.56) ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL6098897 0.76 CYP1A2 (0.52) KDM4EMAPTCYP1A2HPGDSMN1; SMN2
SCHEMBL14439485 0.76 NPC1 (0.60) KDM4EMAPTCYP1A2HPGDSMN1; SMN2

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 624/4885ALDH1A1 1304/4885MAPT 3914/4885

“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.