SCHEMBL5044242

SCHEMBL5044242

CNC(=O)c1ccccc1-c1cc2c(cn1)C=Cc1cc(Cl)ccc1N(C(C)=O)C2

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 15/20 0.58
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
NUDT1 P36639 1/20 0.36
NOTUM Q6P988 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
HTR2A P28223 1/20 0.35
AVPR2 P30518 1/20 0.34
AVPR1A P37288 1/20 0.34

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
SCHEMBL5044233 1.00 HSD17B3 (0.58) HSD17B3ALOX5APFEN1NUDT1NOTUM
SCHEMBL5048187 0.91 HSD17B3 (0.59) HSD17B3NOTUM
SCHEMBL5048200 0.91 HSD17B3 (0.59) HSD17B3NOTUM
SCHEMBL4223294 0.86 HSD17B3 (0.71) HSD17B3
SCHEMBL4223300 0.86 HSD17B3 (0.71) HSD17B3
SCHEMBL6464540 0.84 HSD17B3 (0.56) HSD17B3NOTUM
SCHEMBL6464533 0.84 HSD17B3 (0.56) HSD17B3NOTUM
SCHEMBL15063092 0.83 HSD17B3 (0.55) HSD17B3NOTUMADRA2ADRD2DRD1
SCHEMBL15063091 0.83 HSD17B3 (0.55) HSD17B3NOTUMADRA2ADRD2DRD1
SCHEMBL5042514 0.83 HSD17B3 (0.57) HSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725565-B1 FUSED HETEROTRICYCLIC COMPOUNDS AS INHIBITORS OF 17B-HYDROXYSTEROID DEHYDROGENASE 3 BRISTOL MYERS SQUIBB CO (US) 2013-07-03 EP disclosed
US-7378426-B2 Fused heterotricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-20050192310-A1 Fused heterotricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY 2005-09-01 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-20050192310-A1 Fused heterotricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 HSD17B3, HSD17B1, HSD17B2 HSD17B3 1/4885ALOX5AP 3581/4885FEN1 1933/4885

“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.