SCHEMBL4803208

SCHEMBL4803208

CC(=O)c1ccccc1-c1ccc2c(c1)CN(C(C)=O)c1cc([N+](=O)[O-])ccc1C=C2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 10/20 0.50
RECQL P46063 1/20 0.39
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
SNCA P37840 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.35

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
SCHEMBL4803194 1.00 HSD17B3 (0.50) HSD17B3RECQLALDH1A1POLBKMT2A
SCHEMBL4800845 0.86 HSD17B3 (0.50) HSD17B3RECQLALDH1A1POLBKMT2A
SCHEMBL4800855 0.86 HSD17B3 (0.50) HSD17B3RECQLALDH1A1POLBKMT2A
SCHEMBL4796911 0.85 MAPT (0.40) HSD17B3RECQLALDH1A1POLBKMT2A
SCHEMBL4796925 0.85 MAPT (0.40) HSD17B3RECQLALDH1A1POLBKMT2A
SCHEMBL4798274 0.85 HSD17B3 (0.57) HSD17B3
SCHEMBL4798281 0.85 HSD17B3 (0.57) HSD17B3
SCHEMBL4800474 0.83 HSD17B3 (0.67) HSD17B3
SCHEMBL4800463 0.83 HSD17B3 (0.67) HSD17B3
SCHEMBL5038796 0.80 HSD17B3 (0.52) 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 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 1/4885RECQL 999/4885ALDH1A1 186/4885

“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.