SCHEMBL16407455

SCHEMBL16407455

CC(C)(C)OC(=O)Nc1ccc(Br)cc1NC(=O)CC(=O)c1ccc(Cl)nn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 8/20 0.39
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
BACE1 P56817 1/20 0.36
KCNQ4 P56696 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
JUN P05412 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
BRD4 O60885 1/20 0.34
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL16407456 0.90 AAK1 (0.39) AAK1KCNQ4KCNQ5ALDH1A1BRD4
SCHEMBL19196276 0.83 GRM4 (0.45) AAK1LMNAGAA
SCHEMBL14740751 0.81 MEN1 (0.47) AAK1LMNAKMT2AALDH1A1GAA
SCHEMBL29446491 0.81 ATR (0.39) AAK1KCNQ4KCNQ5ALDH1A1
SCHEMBL30175900 0.80 AAK1 (0.49) AAK1KCNQ4KCNQ5
SCHEMBL1519234 0.80 AAK1 (0.49) AAK1KCNQ4KCNQ5
SCHEMBL16407453 0.80 AAK1 (0.39) AAK1KCNQ4KCNQ5GAA
SCHEMBL14740849 0.79 AAK1 (0.39) AAK1KCNQ4KCNQ5
SCHEMBL16407454 0.78 AAK1 (0.37) AAK1KCNQ4KCNQ5POLBATM
SCHEMBL14740838 0.78 AAK1 (0.38) AAK1BACE1KCNQ4KCNQ5POLB

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 5 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
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

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 AAK1 1426/4885LMNA 4666/4885KMT2A 1326/4885

“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.