SCHEMBL3485743

SCHEMBL3485743

CC(C)(C)OC(=O)N[C@@H]1COc2ccccc2NC1=O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
RIPK1 Q13546 12/20 0.56
EPHX2 P34913 1/20 0.52
IDO1 P14902 1/20 0.43
MAPK10 P53779 1/20 0.42
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39

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
SCHEMBL1561665 1.00 GAA (0.57) GAARIPK1EPHX2IDO1MAPK10
SCHEMBL1561667 1.00 GAA (0.57) GAARIPK1EPHX2IDO1MAPK10
SCHEMBL18368150 0.88 RIPK1 (0.52) GAARIPK1EPHX2IDO1MAPK10
SCHEMBL21156863 0.88 RIPK1 (0.52) GAARIPK1EPHX2IDO1MAPK10
SCHEMBL1561585 0.85 GAA (0.51) GAARIPK1EPHX2
SCHEMBL8904609 0.85 GAA (0.51) GAARIPK1EPHX2
SCHEMBL1561583 0.85 GAA (0.51) GAARIPK1EPHX2
SCHEMBL17321195 0.85 GAA (0.51) GAARIPK1EPHX2
SCHEMBL1562369 0.84 RIPK1 (0.55) GAARIPK1EPHX2
SCHEMBL21156864 0.84 GAA (0.50) GAARIPK1EPHX2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144715-A1 Substituted Benzodiazepinones, Benzoxazepinones and Benzothiazepinones as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2010-06-10 US disclosed
US-20100144715-A1 Substituted Benzodiazepinones, Benzoxazepinones and Benzothiazepinones as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2010-06-10 US disclosed
WO-2008106077-A1 SUBSTITUTED BENZODIAZEPINONES, BENZOXAZEPINONES AND BENZOTHIAZEPINONES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2008-09-04 WO disclosed
US-5610153-A ENZYME INHIBITORS; TREATMENT OF VASCULAR PROLIFERATION DISORDERS, STERILITY DYSFUNCTION, DYSMENORRHEA CIBA-GEIGY CORPORATION (US) 1997-03-11 US disclosed
EP-0673371-A1 BENZAZEPINONE DERIVATIVES Novartis AG (CH) 1995-09-27 EP disclosed
WO-1994013651-A1 BENZAZEPINONE DERIVATIVES CIBA-GEIGY AG (CH) 1994-06-23 WO 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-20100144715-A1 Substituted Benzodiazepinones, Benzoxazepinones and Benzothiazepinones as Sodium Channel Blockers TRPV1, TRPV4, CACNA1B GAA 2587/4885RIPK1 2925/4885EPHX2 1700/4885

“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.