SCHEMBL6097890

SCHEMBL6097890

[CH2]Cc1ccc(-n2nc(C)c(-c3ccc(OC)c(OC)c3)c2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
CYP1A2 P05177 1/20 0.48
CRHR1 P34998 2/20 0.43
MAPT P10636 4/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CRHBP P24387 1/20 0.39
KMT2A Q03164 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL6096532 0.86 SMN1; SMN2 (0.56) SMN1; SMN2CYP1A2CRHR1ALDH1A1KDM4E
SCHEMBL6099027 0.86 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2CRHR1MAPTLMNA
SCHEMBL6098356 0.84 CYP1A2 (0.54) SMN1; SMN2CYP1A2LMNAKDM4E
SCHEMBL6095984 0.83 CYP1A2 (0.48) SMN1; SMN2CYP1A2CRHR1MAPTLMNA
SCHEMBL6095453 0.80 CYP1A2 (0.59) SMN1; SMN2CYP1A2MAPTLMNATP53
SCHEMBL6096679 0.80 SMN1; SMN2 (0.47) SMN1; SMN2CYP1A2CRHR1MAPK1
SCHEMBL6097652 0.80 CYP1A2 (0.50) CYP1A2MAPTLMNAALDH1A1
SCHEMBL6097500 0.79 CYP1A2 (0.49) SMN1; SMN2CYP1A2MAPTLMNAALDH1A1
SCHEMBL6097998 0.79 CYP1A2 (0.51) SMN1; SMN2CYP1A2MAPTALDH1A1KDM4E
SCHEMBL6096730 0.78 CYP1A2 (0.76) SMN1; SMN2CYP1A2LMNAMEN1KMT2A

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 6 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 claimed
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 claimed
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 SMN1; SMN2 4491/4885CYP1A2 670/4885CRHR1 302/4885

“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.