SCHEMBL4152767

SCHEMBL4152767

NC(=O)n1nc(/C=C/c2ccc3c(c2)OCO3)c2c[c]c(F)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP2D6 P10635 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP19A1 P11511 2/20 0.39
MAOB P27338 2/20 0.39
CYP1A2 P05177 2/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
HPGD P15428 4/20 0.38
LMNA P02545 2/20 0.37
EPHX2 P34913 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL4141007 0.83 NFE2L2 (0.33) CYP1A2CYP1A1CYP1B1
SCHEMBL4136580 0.83 ENPP2 (0.39) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL4157693 0.81 NFE2L2 (0.39) KDM4EMAPTALDH1A1CYP1A1CYP1B1
SCHEMBL4157698 0.81 NFE2L2 (0.39) KDM4EMAPTALDH1A1CYP1A1CYP1B1
SCHEMBL4146256 0.78 BACE1 (0.40) KDM4EALDH1A1HSD17B10CYP1A1HPGD
SCHEMBL4142170 0.77 NFE2L2 (0.36) KDM4EMAPTMAOBNPC1RAB9A
SCHEMBL4153379 0.77 MAPT (0.38) KDM4EMAPTALDH1A1CYP2D6CYP3A4
SCHEMBL4150614 0.74 HCAR2 (0.35) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL4150611 0.74 HCAR2 (0.35) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL19500874 0.64 CYP19A1 (0.78) KDM4EMAPTALDH1A1CYP2D6CYP3A4

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 KDM4E 2622/4885MAPT 2811/4885ALDH1A1 2731/4885

“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.