SCHEMBL4801019

SCHEMBL4801019

COCCNC(=O)c1ccc2c(c1)CCc1cc(Cl)ccc1N(C(C)=O)C2

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 13/20 0.57
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NAMPT P43490 1/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
NOTUM Q6P988 1/20 0.49
HPGD P15428 2/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL4798268 0.90 HSD17B3 (0.59) HSD17B3KDM4ENPC1RAB9ANOTUM
SCHEMBL4799403 0.88 HSD17B3 (0.57) HSD17B3NAMPTNOTUM
SCHEMBL4800970 0.86 HSD17B3 (0.63) HSD17B3HTTSMN1; SMN2NAMPTKDM4E
SCHEMBL4796728 0.83 HSD17B3 (0.56) HSD17B3HTTSMN1; SMN2NAMPTKDM4E
SCHEMBL4796722 0.83 HSD17B3 (0.56) HSD17B3HTTSMN1; SMN2NAMPTKDM4E
SCHEMBL4800848 0.77 HSD17B3 (0.61) HSD17B3NOTUM
SCHEMBL21172654 0.74 HTT (0.52) HTTSMN1; SMN2NAMPTKDM4ENPC1
SCHEMBL21172961 0.74 HTT (0.52) HTTSMN1; SMN2NAMPTKDM4ENPC1
SCHEMBL4048444 0.74 HSD17B3 (0.71) HSD17B3NOTUM
SCHEMBL4800410 0.74 HSD17B3 (0.75) 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 1/4885HTT 2984/4885SMN1; SMN2 4127/4885

“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.