SCHEMBL4800970

SCHEMBL4800970

COCCNC(=O)c1ccc2c(c1)CCc1ccccc1N(C(C)=O)C2

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 9/20 0.63
HPGD P15428 2/20 0.55
NAMPT P43490 3/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL4801019 0.86 HSD17B3 (0.57) HSD17B3HPGDNAMPTNPC1RAB9A
SCHEMBL4800454 0.82 HPGD (0.47) HSD17B3HPGDNAMPTNPC1RAB9A
SCHEMBL4800438 0.82 HPGD (0.47) HSD17B3HPGDNAMPTNPC1RAB9A
SCHEMBL14084521 0.80 HSD17B3 (0.80) HSD17B3NPC1RAB9AKDM4ELMNA
SCHEMBL4796682 0.79 HSD17B3 (0.78) HSD17B3
SCHEMBL4799299 0.76 HSD17B3 (0.67) HSD17B3RAB9ASMN1; SMN2
SCHEMBL4799390 0.76 HSD17B3 (0.63) HSD17B3HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4798268 0.75 HSD17B3 (0.59) HSD17B3NPC1RAB9AKDM4E
SCHEMBL21172654 0.75 HTT (0.52) HPGDNAMPTNPC1RAB9AHTT
SCHEMBL21172961 0.75 HTT (0.52) HPGDNAMPTNPC1RAB9AHTT

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 HSD17B3 1/4885HPGD 34/4885NAMPT 2136/4885

“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.