SCHEMBL2927705

SCHEMBL2927705

O=C(O)NN1C(=O)CN=C(c2ccccc2)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.60
GABRG2 P18507 3/20 0.60
GABRB3 P28472 3/20 0.60
GABRA5 P31644 3/20 0.60
GABRA3 P34903 3/20 0.60
GABRA2 P47869 3/20 0.60
GABRB2 P47870 3/20 0.60
CCKBR P32239 1/20 0.60
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL7828642 0.82 HDAC3 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2928880 0.81 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8708857 0.80 DDB1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9866333 0.79 CCKBR (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3968919 0.77 GABRA1 (0.62) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8672792 0.76 SMN1; SMN2 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3968922 0.76 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30175096 0.76 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29920810 0.76 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL877728 0.76 GABRA1 (1.00) 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 5 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
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

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.