SCHEMBL6096068

SCHEMBL6096068

[CH2]Cc1ccc(-n2nc(C)c(-c3ccc(OCC)cc3)c2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
CACNA2D1 P54289 9/20 0.46
CACNA2D2 Q9NY47 5/20 0.46
PRNP P04156 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL6098356 0.87 CYP1A2 (0.54) CYP1A2KDM4EHPGDSMN1; SMN2
SCHEMBL6096794 0.85 CYP1A2 (0.56) CYP1A2KDM4EALDH1A1MAPTHPGD
SCHEMBL6095421 0.85 CYP1A2 (0.50) CYP1A2KDM4EALDH1A1MAPTHPGD
SCHEMBL6094567 0.85 KDM4E (0.50) CYP1A2KDM4EALDH1A1MAPTHPGD
SCHEMBL6095453 0.84 CYP1A2 (0.59) CYP1A2KDM4EALDH1A1MAPTPRNP
SCHEMBL6098683 0.82 CYP1A2 (0.56) CYP1A2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL6096261 0.82 CYP1A2 (0.56) CYP1A2SMN1; SMN2
SCHEMBL6096730 0.82 CYP1A2 (0.76) CYP1A2SMN1; SMN2
SCHEMBL6097575 0.81 CYP1A2 (0.56) CYP1A2KDM4EALDH1A1MAPTHPGD
SCHEMBL6097500 0.78 CYP1A2 (0.49) CYP1A2KDM4EALDH1A1MAPTHPGD

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 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
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 CYP1A2 670/4885KDM4E 624/4885ALDH1A1 1304/4885

“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.