SCHEMBL2925930

SCHEMBL2925930

CN1C(=O)CN=C(c2ccccc2)c2cc(N)ccc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.73
GABRG2 P18507 7/20 0.73
GABRB3 P28472 7/20 0.73
GABRA5 P31644 7/20 0.73
GABRA3 P34903 7/20 0.73
GABRA2 P47869 7/20 0.73
GABRB2 P47870 5/20 0.73
GABRP O00591 2/20 0.73
GABRD O14764 2/20 0.73
GABRB1 P18505 2/20 0.73
GABRA4 P48169 2/20 0.73
GABRE P78334 2/20 0.73
GABRA6 Q16445 2/20 0.73
GABRG1 Q8N1C3 2/20 0.73
GABRG3 Q99928 2/20 0.73
GABRQ Q9UN88 2/20 0.73
CACNA1F O60840 1/20 0.73
ALB P02768 1/20 0.73
OPRK1 P41145 1/20 0.73
AKR1C3 P42330 1/20 0.73

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
SCHEMBL5038242 0.87 GABRA1 (0.62) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL24194446 0.85 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL11681384 0.84 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2928346 0.84 GABRA1 (0.73) GABRA1GABRG2GABRB3GABRA5GABRA3
Diazepam SCHEMBL9278054 0.84 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
Diazepam SCHEMBL29362687 0.84 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
Diazepam SCHEMBL1019217 0.84 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
Diazepam SCHEMBL21442 0.84 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29360474 0.84 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4817228 0.84 GABRA1 (0.73) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231623-B1 5-PHENYL-1H-BENZO[E][1, 4]DIAZEPINE COMPOUNDS SUBSTITUTED WITH AN HYDROXAMIC ACID GROUP AS HISTONE DEACETYLASE INHIBITORS UNIV FIRENZE (IT) 2013-05-22 EP disclosed
EP-2231623-B1 5-PHENYL-1H-BENZO[E][1, 4]DIAZEPINE COMPOUNDS SUBSTITUTED WITH AN HYDROXAMIC ACID GROUP AS HISTONE DEACETYLASE INHIBITORS UNIV FIRENZE (IT) 2013-05-22 EP disclosed
US-8324202-B2 5-phenyl-1H-benzo [E] [1,4] diazepine compounds substituted with an hydroxamic acid group as histone deacetylase inhibitors UNIVERSITA DEGLI STUDI DI FIRENZE (IT) 2012-12-04 US disclosed
US-20100331316-A1 5-PHENYL-LH-BENZ0 [E] [1,4] DIAZEPINE COMPOUNDS SUBSTITUTED WITH AN HYDROXAMIC ACID GROUP AS HISTONE DEACETYLASE INHIBITORS A.I.L. FIRENZE SEZIONE AUTONOMA DI FIRENZE DELL'ASSOCIAZIONE ITALIANA CONTRO LE LEUCEMIE, LINFOMI E MIELOMA - ONLUS (IT) 2010-12-30 US disclosed
EP-2231623-A1 5-PHENYL-LH-BENZ0 [E] [1, 4] DIAZEPINE COMPOUNDS SUBSTITUTED WITH AN HYDROXAMIC ACID GROUP AS HISTONE DEACETYLASE INHIBITORS Universita' Degli Studi di Firenze (IT) 2010-09-29 EP disclosed
WO-2009081349-A1 5-PHENYL-LH-BENZ0 [E] [1, 4] DIAZEPINE COMPOUNDS SUBSTITUTED WITH AN HYDROXAMIC ACID GROUP AS HISTONE DEACETYLASE INHIBITORS UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2009-07-02 WO disclosed
EP-0264797-B1 Benzodiazepines assay, tracers, immunogens and antibodies ABBOTT LAB (US) 1996-01-10 EP disclosed
EP-0264797-A2 Benzodiazepines assay, tracers, immunogens and antibodies ABBOTT LABORATORIES (US) 1988-04-27 EP disclosed
EP-0033973-B1 BENZODIAZEPINE DERIVATIVES, INTERMEDIATES AND PROCESSES FOR PREPARING THEM, THEIR USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-09-28 EP disclosed
US-4361511-A ANTIALDOSTERONES HOFFMANN-LA ROCHE INC. (US) 1982-11-30 US disclosed
EP-0033973-A1 Benzodiazepine derivatives, intermediates and processes for preparing them, their use and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-08-19 EP 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-20100331316-A1 5-PHENYL-LH-BENZ0 [E] [1,4] DIAZEPINE COMPOUNDS SUBSTITUTED WITH AN HYDROXAMIC ACID GROUP AS HISTONE DEACETYLASE INHIBITORS HDAC10, HDAC1, HDAC5 GABRA1 2012/4885GABRG2 1967/4885GABRB3 1869/4885

“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.