SCHEMBL14740751

SCHEMBL14740751

CC(C)(C)OC(=O)Nc1ccc(Br)cc1NC(=O)CC(=O)c1cnccn1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 3/20 0.39
AAK1 Q2M2I8 3/20 0.38
RECQL P46063 1/20 0.37
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL14740843 0.84 KMT2A (0.53) MEN1KMT2ACTDSP1NPC1RAB9A
SCHEMBL16407453 0.82 AAK1 (0.39) NPC1RAB9AGAAAAK1
SCHEMBL16407456 0.82 AAK1 (0.39) AAK1ALDH1A1
SCHEMBL14740849 0.81 AAK1 (0.39) AAK1
SCHEMBL16407455 0.81 AAK1 (0.39) KMT2ALMNAGAAAAK1ALDH1A1
SCHEMBL29446491 0.80 ATR (0.39) NPC1RAB9AAAK1ALDH1A1
SCHEMBL19196276 0.80 GRM4 (0.45) LMNAGAAAAK1
SCHEMBL14740838 0.78 AAK1 (0.38) AAK1
SCHEMBL30175900 0.78 AAK1 (0.49) NPC1RAB9AAAK1RECQL
SCHEMBL1519234 0.78 AAK1 (0.49) NPC1RAB9AAAK1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751095-B1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF SANFORD BURNHAM MED RES INST (US) 2021-10-27 EP disclosed
EP-2751095-B1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF SANFORD BURNHAM MED RES INST (US) 2021-10-27 EP disclosed
US-9193710-B2 Benzodiazepinones as modulators of metabotropic glutamate receptor functions and neurological uses thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-11-24 US disclosed
US-9193710-B2 Benzodiazepinones as modulators of metabotropic glutamate receptor functions and neurological uses thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-11-24 US disclosed
US-9193710-B2 Benzodiazepinones as modulators of metabotropic glutamate receptor functions and neurological uses thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-11-24 US disclosed
US-20150025064-A1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-01-22 US disclosed
US-20150025064-A1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-01-22 US disclosed
US-20150025064-A1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-01-22 US disclosed
EP-2751095-A2 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF Sanford-Burnham Medical Research Institute (US) 2014-07-09 EP disclosed
WO-2013033246-A2 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF BRAINCELLS, INC. (US) 2013-03-07 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-20150025064-A1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF GRM1, GRM3, GRM2 MEN1 3376/4885KMT2A 1326/4885CTDSP1 4233/4885

“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.