SCHEMBL4800438

SCHEMBL4800438

COCCNC(=O)c1ccc2c(c1)/C=C\c1ccccc1N(C(C)=O)C2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.47
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 2/20 0.46
HSD17B3 P37058 2/20 0.46
NAMPT P43490 4/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
P2RX4 Q99571 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL4800454 1.00 HPGD (0.47) HPGDKDM4ENPC1RAB9AMAPT
SCHEMBL4796722 0.87 HSD17B3 (0.56) HPGDKDM4ENPC1RAB9AMAPT
SCHEMBL4796728 0.87 HSD17B3 (0.56) HPGDKDM4ENPC1RAB9AMAPT
SCHEMBL14084550 0.86 HSD17B3 (0.48) HSD17B3HTTSMN1; SMN2ALDH1A1
SCHEMBL4798501 0.84 HSD17B3 (0.46) KDM4EHSD17B3NAMPTALDH1A1GAA
SCHEMBL4798512 0.84 HSD17B3 (0.46) KDM4EHSD17B3NAMPTALDH1A1GAA
SCHEMBL14084547 0.83 NAMPT (0.49) HPGDHSD17B3NAMPTGAA
SCHEMBL14084553 0.82 HSD17B3 (0.45) HSD17B3NAMPTSMN1; SMN2ALDH1A1P2RX4
SCHEMBL4800970 0.82 HSD17B3 (0.63) HPGDKDM4ENPC1RAB9AMAPT
SCHEMBL14084552 0.81 HSD17B3 (0.44) HPGDHSD17B3NAMPTGAAP2RX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
US-20050250753-A1 Fused tricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY 2005-11-10 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-20050250753-A1 Fused tricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 HSD17B3, HSD17B11, HSD17B1 HPGD 34/4885KDM4E 3392/4885NPC1 761/4885

“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.