SCHEMBL4149158

SCHEMBL4149158

NC(=O)n1nc(/C=C/c2ccc3ccccc3c2)c2c[c]c(F)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.35
PTGS1 P23219 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
CYP1A1 P04798 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP1B1 Q16678 1/20 0.33
NQO2 P16083 1/20 0.33
PTPN1 P18031 1/20 0.33
CHEK1 O14757 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4149161 1.00 RELA (0.35) RELAPTGS1CYP3A4CYP1A2MEN1
SCHEMBL4141011 0.86 NFE2L2 (0.33) CYP1A2CYP1A1CYP1B1
SCHEMBL4141007 0.86 NFE2L2 (0.33) CYP1A2CYP1A1CYP1B1
SCHEMBL4136580 0.86 ENPP2 (0.39) PTGS1MEN1KMT2ANPC1RAB9A
SCHEMBL4157693 0.85 NFE2L2 (0.39) PTGS1MEN1KMT2ACYP1A1CYP1B1
SCHEMBL4157698 0.85 NFE2L2 (0.39) PTGS1MEN1KMT2ACYP1A1CYP1B1
SCHEMBL4142170 0.82 NFE2L2 (0.36) KMT2ANPC1RAB9ACYP1A1CYP1B1
SCHEMBL4153379 0.81 MAPT (0.38) PTGS1CYP3A4CYP1A2KMT2ANPC1
SCHEMBL4152767 0.81 KDM4E (0.40) RELACYP3A4CYP1A2MEN1KMT2A
SCHEMBL4146256 0.81 BACE1 (0.40) PTGS1MEN1KMT2ACYP1A1KDM4E

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 RELA 867/4885PTGS1 1815/4885CYP3A4 588/4885

“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.