SCHEMBL3787642

SCHEMBL3787642

CC(C)(O)c1cc(C#N)cc2nc(-c3ccc(Br)cc3)oc12

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CETP P11597 10/20 0.55
CEPT1 Q9Y6K0 7/20 0.55
ESR1 P03372 4/20 0.43
ESR2 Q92731 4/20 0.43
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL3783852 0.88 CETP (0.44) CETPCEPT1ESR1ESR2
SCHEMBL1733972 0.81 CEPT1 (0.53) CETPCEPT1
SCHEMBL3681612 0.78 ESR2 (0.55) CETPCEPT1ESR1ESR2HDAC6
SCHEMBL1735106 0.78 CETP (0.54) CETPCEPT1ESR1ESR2
SCHEMBL1735108 0.78 CETP (0.66) CETPCEPT1
SCHEMBL3792093 0.76 ESR2 (0.60) CETPCEPT1ESR1ESR2HDAC6
SCHEMBL2402116 0.73 ESR2 (0.64) ESR1ESR2HDAC6
SCHEMBL3685017 0.73 CETP (0.50) CETPCEPT1ESR2
SCHEMBL20768005 0.72 CEPT1 (1.00) CETPCEPT1
SCHEMBL18593334 0.72 NPC1 (0.43) CETPCEPT1ESR1ESR2HDAC6

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-2170058-B1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME (US) 2013-07-03 EP disclosed
US-8445480-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP. (US) 2013-05-21 US disclosed
US-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC (US) 2010-11-25 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-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP CETP 1/4885CEPT1 195/4885ESR1 3416/4885

“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.