SCHEMBL6426274

SCHEMBL6426274

COc1c(C(=O)NC[C@H](O)c2ccccc2)ccc2[nH]nc(/C=C/c3ccc(F)cc3)c12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CYP24A1 Q07973 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
SCD O00767 3/20 0.38
KCNA3 P22001 1/20 0.37
CYP2D6 P10635 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IDH1 O75874 2/20 0.36

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
SCHEMBL6426315 1.00 KDM4E (0.41) KDM4ETAAR1CYP24A1NPC1RAB9A
SCHEMBL6429412 0.89 ACSS2 (0.39) KDM4ECYP24A1
SCHEMBL6426112 0.89 ACSS2 (0.39) KDM4ECYP24A1
SCHEMBL4148835 0.86 TP53 (0.46) KDM4ESMN1; SMN2
SCHEMBL4148832 0.86 TP53 (0.46) KDM4ESMN1; SMN2
SCHEMBL4139682 0.85 DRD3 (0.35) KDM4EKCNA3SMN1; SMN2
SCHEMBL5030003 0.85 MAPK1 (0.41) ADORA2AROCK2ROCK1
SCHEMBL6426273 0.85 MAPK1 (0.41) ADORA2AROCK2ROCK1
SCHEMBL4148961 0.84 MEN1 (0.38) CYP24A1
SCHEMBL4148956 0.84 MEN1 (0.38) CYP24A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KDM4E 2795/4885TAAR1 1403/4885CYP24A1 1981/4885

“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.