SCHEMBL4796559

SCHEMBL4796559

COc1ccc(-c2ccc3c(c2)/C=C\c2cc(Cl)ccc2N(C(N)=O)C3)cn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 8/20 0.47
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
USP30 Q70CQ3 1/20 0.39
IDH1 O75874 1/20 0.38
RECQL P46063 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
KCNH2 Q12809 2/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
PABPC1 P11940 1/20 0.35
KMT2A Q03164 1/20 0.35
ALPL P05186 1/20 0.35
RIOK2 Q9BVS4 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
SCHEMBL4796570 1.00 HSD17B3 (0.47) HSD17B3MKNK1MKNK2USP30IDH1
SCHEMBL6387452 0.92 HSD17B3 (0.56) HSD17B3USP30IDH1
SCHEMBL6387449 0.92 HSD17B3 (0.56) HSD17B3USP30IDH1
SCHEMBL4799533 0.89 IDH1 (0.50) HSD17B3USP30IDH1
SCHEMBL4799542 0.89 IDH1 (0.50) HSD17B3USP30IDH1
Trifluoroacetic Acid SCHEMBL4796891 0.86 HSD17B3 (0.50) HSD17B3USP30IDH1
SCHEMBL4231743 0.82 ALPL (0.39) HSD17B3HSD17B1HSD17B2KCNH2ALPL
SCHEMBL5038877 0.82 HSD17B3 (0.53) HSD17B3RECQLPRKAG1PRKAA1PRKAB1
SCHEMBL4231738 0.82 ALPL (0.39) HSD17B3HSD17B1HSD17B2KCNH2ALPL
SCHEMBL5038876 0.82 HSD17B3 (0.53) HSD17B3RECQLPRKAG1PRKAA1PRKAB1

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 1/4885MKNK1 1905/4885MKNK2 2302/4885

“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.