SCHEMBL5042841

SCHEMBL5042841

CC(=O)N1Cc2cc(-c3ccccc3)ncc2C=Cc2ccc(-c3ccccc3)cc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 13/20 0.48
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
LDHA P00338 1/20 0.38
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
BRD4 O60885 2/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
TRIM24 O15164 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
SCHEMBL5042837 1.00 HSD17B3 (0.48) HSD17B3CYP11B1CYP11B2LDHAMKNK1
SCHEMBL5042619 0.90 HSD17B3 (0.48) HSD17B3CYP11B1CYP11B2LDHA
SCHEMBL5042608 0.90 HSD17B3 (0.48) HSD17B3CYP11B1CYP11B2LDHA
SCHEMBL5043107 0.89 HSD17B3 (0.52) HSD17B3
SCHEMBL5043105 0.89 HSD17B3 (0.52) HSD17B3
SCHEMBL5042551 0.82 HSD17B3 (0.64) HSD17B3
SCHEMBL5042553 0.82 HSD17B3 (0.64) HSD17B3
SCHEMBL5048370 0.80 HSD17B3 (0.48) HSD17B3CYP11B1CYP11B2LDHA
SCHEMBL5048373 0.80 HSD17B3 (0.48) HSD17B3CYP11B1CYP11B2LDHA
SCHEMBL4801032 0.79 HSD17B3 (0.62) HSD17B3CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378426-B2 Fused heterotricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
EP-1725565-A2 FUSED HETEROTRICYCLIC COMPOUNDS AS INHIBITORS OF 17B-HYDROXYSTEROID DEHYDROGENASE 3 Bristol-Myers Squibb Company (US) 2006-11-29 EP disclosed
WO-2005084295-A2 FUSED HETEROTRICYCLIC COMPOUNDS AS INHIBITORS OF 17B-HYDROXYSTEROID DEHYDROGENASE 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-15 WO 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 1/4885CYP11B1 24/4885CYP11B2 26/4885

“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.