SCHEMBL2925486

SCHEMBL2925486

CN1C(=O)CN=C(c2ccccc2)c2cc(NC(=O)CCCCCCC(=O)NO)ccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.69
HDAC6 Q9UBN7 8/20 0.69
HDAC3 O15379 5/20 0.60
HDAC8 Q9BY41 5/20 0.60
GABRA1 P14867 5/20 0.57
GABRG2 P18507 5/20 0.57
GABRB3 P28472 5/20 0.57
GABRA5 P31644 5/20 0.57
GABRA3 P34903 5/20 0.57
GABRA2 P47869 5/20 0.57
GABRB2 P47870 4/20 0.57
GABRP O00591 1/20 0.57
GABRD O14764 1/20 0.57
CACNA1F O60840 1/20 0.57
ALB P02768 1/20 0.57
GABRB1 P18505 1/20 0.57
OPRK1 P41145 1/20 0.57
AKR1C3 P42330 1/20 0.57
GABRA4 P48169 1/20 0.57
AKR1C2 P52895 1/20 0.57

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
SCHEMBL2920482 0.93 HDAC1 (0.60) HDAC1HDAC6HDAC3HDAC8GABRA1
SCHEMBL2924146 0.89 HDAC1 (0.64) HDAC1HDAC6HDAC3HDAC8GABRA1
SCHEMBL2925170 0.88 HDAC1 (0.55) HDAC1HDAC6HDAC3HDAC8GABRA1
SCHEMBL3781286 0.88 HDAC1 (0.55) HDAC1HDAC6HDAC3HDAC8GABRA1
SCHEMBL3788122 0.82 HDAC1 (0.62) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL3787779 0.82 HDAC1 (0.62) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL3782474 0.82 HDAC1 (0.62) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL2922259 0.82 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC8GABRA1
SCHEMBL11771095 0.81 GABRA1 (0.72) HDAC1HDAC6HDAC3HDAC8GABRA1
SCHEMBL3783833 0.81 HDAC6 (0.60) HDAC1HDAC6HDAC3HDAC8HDAC4

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 7 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 claimed
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 claimed
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 HDAC1 2/4885HDAC6 13/4885HDAC3 8/4885

“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.