SCHEMBL6098338

SCHEMBL6098338

Cc1nn(-c2ccc(CCCl)cc2)c(C)c1-c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.55
AR P10275 1/20 0.44
CYP2D6 P10635 2/20 0.40
OPRM1 P35372 1/20 0.40
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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 0.90 CYP1A2 (0.56) CYP1A2ARCYP2D6NPC1RAB9A
SCHEMBL6095060 0.88 CYP1A2 (0.61) CYP1A2ARCYP2D6OPRM1GAA
SCHEMBL6096492 0.88 CYP1A2 (0.54) CYP1A2ARCYP2D6OPRM1SMN1; SMN2
SCHEMBL6097555 0.88 CYP1A2 (0.72) CYP1A2ARCYP2D6NPC1RAB9A
SCHEMBL6097502 0.88 CYP1A2 (0.53) CYP1A2NPC1GAARAB9ASMN1; SMN2
SCHEMBL6096261 0.85 CYP1A2 (0.56) CYP1A2ARCYP2D6OPRM1NPC1
SCHEMBL6094567 0.84 KDM4E (0.50) CYP1A2SMN1; SMN2
SCHEMBL6097885 0.82 CYP1A2 (0.56) CYP1A2ARCYP2D6RAB9ASMN1; SMN2
SCHEMBL6097549 0.77 CYP1A2 (0.56) CYP1A2ARCYP2D6NPC1RAB9A
SCHEMBL6096723 0.76 CYP1A2 (0.45) CYP1A2AR

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 670/4885AR 110/4885CYP2D6 801/4885

“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.