SCHEMBL4802697

SCHEMBL4802697

CC(=O)N1Cc2ccc(Br)cc2CC(=O)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 18/20 0.64
NOTUM Q6P988 1/20 0.58
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
PABPC1 P11940 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4799212 0.76 HSD17B3 (1.00) HSD17B3NOTUM
SCHEMBL1048074 0.75 NOTUM (1.00) HSD17B3NOTUMKDM4EALDH1A1
SCHEMBL30003296 0.75 NOTUM (1.00) HSD17B3NOTUMKDM4EALDH1A1
SCHEMBL4800918 0.75 NOTUM (0.46) HSD17B3NOTUM
SCHEMBL4795014 0.73 HSD17B3 (0.63) HSD17B3NOTUM
SCHEMBL31394419 0.73 NOTUM (0.60) HSD17B3NOTUMMEN1ALDH1A1MAPT
SCHEMBL68600 0.73 NOTUM (0.60) HSD17B3NOTUMMEN1ALDH1A1MAPT
SCHEMBL5712043 0.73 NOTUM (0.60) HSD17B3NOTUMMEN1ALDH1A1MAPT
SCHEMBL10052972 0.71 TDP1 (0.51) KDM4EALDH1A1MAPT
SCHEMBL28619340 0.71 PTPRC (0.53) KDM4EALDH1A1MAPT

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-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
US-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
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 1/4885NOTUM 465/4885KDM4E 3392/4885

“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.