SCHEMBL14740800

SCHEMBL14740800

Cc1ccc(N(N)C(=O)OC(C)(C)C)cc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.34
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
MT-CO2 P00403 1/20 0.34
PAX8 Q06710 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
CPB2 Q96IY4 1/20 0.31
MAPT P10636 1/20 0.31
LTC4S Q16873 1/20 0.31
MITF O75030 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL27827952 0.86 MT-CO2 (0.32) MT-CO2PAX8
SCHEMBL2529611 0.84 MT-CO2 (0.42) NPC1RAB9AMT-CO2PAX8MAPT
SCHEMBL17336857 0.84 LMNA (0.36) LMNAMT-CO2PAX8POLB
SCHEMBL6878671 0.84 LMNA (0.36) LMNAMT-CO2PAX8MEN1KMT2A
SCHEMBL3410365 0.81 MT-CO2 (0.39) LMNAALDH1A1SMN1; SMN2RAB9AMT-CO2
SCHEMBL12140384 0.81 BRD4 (0.40) SMN1; SMN2RAB9AMT-CO2PAX8MEN1
SCHEMBL6625422 0.81 KDM4E (0.33) LMNANPC1RAB9APAX8MAPT
SCHEMBL14740850 0.80 MT-CO2 (0.38) NPC1RAB9AMT-CO2PAX8MAPT
SCHEMBL3407971 0.79 CYP3A4 (0.40) LMNAALDH1A1NPC1RAB9APAX8
SCHEMBL4631158 0.78 MEN1 (0.42) ALDH1A1SMN1; SMN2PAX8MEN1KMT2A

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-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 LMNA 4666/4885ALDH1A1 2319/4885SMN1; SMN2 1582/4885

“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.