SCHEMBL4801059

SCHEMBL4801059

CNC(=O)c1ccc2c(c1)CN(C(C)=O)c1ccc(Cl)cc1/C=C\2

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 13/20 0.65
HDAC8 Q9BY41 1/20 0.44
NOTUM Q6P988 3/20 0.43
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
PYGL P06737 1/20 0.38

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
SCHEMBL4801068 1.00 HSD17B3 (0.65) HSD17B3HDAC8NOTUMSLC6A2SLC6A4
SCHEMBL4799876 0.91 HSD17B3 (0.60) HSD17B3
SCHEMBL4799863 0.91 HSD17B3 (0.60) HSD17B3
SCHEMBL4796210 0.88 HSD17B3 (0.59) HSD17B3
SCHEMBL4796204 0.88 HSD17B3 (0.59) HSD17B3
SCHEMBL4053592 0.88 HSD17B3 (0.70) HSD17B3NOTUM
SCHEMBL4053594 0.88 HSD17B3 (0.70) HSD17B3NOTUM
SCHEMBL4796670 0.87 HSD17B3 (0.53) HSD17B3HDAC8
SCHEMBL4796660 0.87 HSD17B3 (0.53) HSD17B3HDAC8
SCHEMBL4795480 0.81 HSD17B3 (0.65) HSD17B3NOTUM

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 1/4885HDAC8 412/4885NOTUM 465/4885

“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.