SCHEMBL6095952

SCHEMBL6095952

[CH2]Cc1ccc(-n2nc(C(F)(F)F)c(-c3ccccc3)c2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGS2 P35354 4/20 0.39
PTGS1 P23219 3/20 0.39
GLA P06280 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GRIA2 P42262 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL6097264 0.88 CYP1A2 (0.40) KDM4ECYP1A2LMNAMEN1ALDH1A1
SCHEMBL6096303 0.85 CYP1A2 (0.45) POLBKDM4ECYP1A2MEN1ALDH1A1
SCHEMBL6098136 0.85 CYP2C19 (0.42) POLBKDM4ECYP1A2LMNAMEN1
SCHEMBL6098508 0.85 POLB (0.53) POLBKDM4ELMNAMEN1ALDH1A1
SCHEMBL6097575 0.82 CYP1A2 (0.56) POLBKDM4ECYP1A2LMNAMEN1
SCHEMBL6094995 0.79 PTGS2 (0.41) POLBKDM4ECYP1A2MEN1ALDH1A1
SCHEMBL6099399 0.76 CYP1A2 (0.49) POLBCYP1A2LMNAALDH1A1
SCHEMBL6171466 0.75 HSD11B1 (0.42) CYP1A2NPC1RAB9ASMN1; SMN2
SCHEMBL6096276 0.75 NPC1 (0.46) POLBKMT2ACYP2C9CYP2C19GRIA2
SCHEMBL6095734 0.73 CYP1A2 (0.38) CYP1A2MEN1ALDH1A1KMT2APTGS2

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 2 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
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

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 4327/4885KDM4E 624/4885CYP1A2 670/4885

“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.