SCHEMBL4136578

SCHEMBL4136578

NC(=O)n1nc(/C=C/c2ccc(F)cc2)c2c[c]c(F)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.39
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD11B1 P28845 1/20 0.33
IP6K1 Q92551 1/20 0.33
IP6K3 Q96PC2 1/20 0.33
PTGS1 P23219 2/20 0.33
NFE2L2 Q16236 2/20 0.32
TNFRSF1A P19438 1/20 0.31
GRM4 Q14833 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL4136580 1.00 ENPP2 (0.39) ENPP2ALDH1A1KDM4EMEN1NPC1
SCHEMBL4141007 0.89 NFE2L2 (0.33) ENPP2NFE2L2PTGS2
SCHEMBL4141011 0.89 NFE2L2 (0.33) ENPP2NFE2L2PTGS2
SCHEMBL4157693 0.88 NFE2L2 (0.39) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL4157698 0.88 NFE2L2 (0.39) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL4149158 0.86 RELA (0.35) ALDH1A1KDM4EMEN1NPC1RAB9A
SCHEMBL4153379 0.84 MAPT (0.38) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL4153383 0.84 MAPT (0.38) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL4152767 0.83 KDM4E (0.40) ALDH1A1KDM4EMEN1NPC1MAPT
SCHEMBL4146253 0.83 BACE1 (0.40) ALDH1A1KDM4EMEN1KMT2ANPSR1

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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 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 ENPP2 3657/4885ALDH1A1 2731/4885KDM4E 2622/4885

“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.