SCHEMBL6425928

SCHEMBL6425928

COc1c(C(=O)NCc2cccs2)ccc2[nH]nc(/C=C/c3ccc(C(C)=O)nc3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.39
HSD17B10 Q99714 6/20 0.39
ALDH1A1 P00352 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK10 P53779 1/20 0.39
AURKA O14965 2/20 0.39
AURKB Q96GD4 2/20 0.39
KDM4E B2RXH2 5/20 0.39
GAA P10253 2/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL5032418 0.90 KDM4E (0.40) HPGDHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL5027586 0.89 AURKA (0.40) HPGDHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL6426372 0.88 TSHR (0.47) HPGDHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL5031151 0.87 ALDH1A1 (0.42) HPGDHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL6427572 0.87 RECQL (0.48) HPGDHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL6425771 0.87 ABL1 (0.35) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5032372 0.87 KDM4E (0.42) HPGDHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL6427690 0.86 TDP1 (0.41) HPGDHSD17B10ALDH1A1SMN1; SMN2MEN1
SCHEMBL5032451 0.86 HPGD (0.45) HPGDHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL5030049 0.85 AURKA (0.46) HPGDHSD17B10ALDH1A1NPC1RAB9A

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 HPGD 2100/4885HSD17B10 2288/4885ALDH1A1 2713/4885

“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.