SCHEMBL4141007

SCHEMBL4141007

NC(=O)n1nc(/C=C/c2ccc(F)c(F)c2)c2c[c]c(F)cc21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.33
PIM1 P11309 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
ENPP2 Q13822 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
PTGS2 P35354 1/20 0.31
PLA2G7 Q13093 1/20 0.30
TGFBR1 P36897 1/20 0.30

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
SCHEMBL4141011 1.00 NFE2L2 (0.33) NFE2L2PIM1CYP1A1CYP1A2CYP1B1
SCHEMBL4136580 0.89 ENPP2 (0.39) NFE2L2ENPP2PTGS2
SCHEMBL4136578 0.89 ENPP2 (0.39) NFE2L2ENPP2PTGS2
SCHEMBL4154470 0.88 TUBB1 (0.42) NFE2L2PTGS2
SCHEMBL4146256 0.88 BACE1 (0.40) NFE2L2CYP1A1PTGS2
SCHEMBL4154467 0.88 TUBB1 (0.42) NFE2L2PTGS2
SCHEMBL4146253 0.88 BACE1 (0.40) NFE2L2CYP1A1PTGS2
SCHEMBL4149161 0.86 RELA (0.35) CYP1A1CYP1A2CYP1B1
SCHEMBL4149158 0.86 RELA (0.35) CYP1A1CYP1A2CYP1B1
SCHEMBL4157693 0.86 NFE2L2 (0.39) NFE2L2CYP1A1CYP1B1PTGS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B NFE2L2 434/4885PIM1 1645/4885CYP1A1 408/4885

“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.