SCHEMBL2929249

SCHEMBL2929249

C[C@@H]1N=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2N(C)C1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
CCKBR P32239 4/20 0.53
OPRK1 P41145 2/20 0.51
PDE3A Q14432 1/20 0.51
GABRA1 P14867 3/20 0.50
GABRG2 P18507 3/20 0.50
GABRB3 P28472 3/20 0.50
GABRA5 P31644 3/20 0.50
GABRA3 P34903 3/20 0.50
GABRA2 P47869 2/20 0.49
GABRB2 P47870 2/20 0.49
MC3R P41968 1/20 0.49
GHSR Q92847 1/20 0.49
NR1H2 P55055 1/20 0.49
NR1H3 Q13133 1/20 0.49
CASP1 P29466 1/20 0.49
CASP3 P42574 1/20 0.49
CASP4 P49662 1/20 0.49
CASP7 P55210 1/20 0.49
CASP9 P55211 1/20 0.49

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
SCHEMBL3783696 1.00 LMNA (0.64) LMNACCKBROPRK1PDE3AGABRA1
SCHEMBL29394022 0.87 OPRK1 (0.68) LMNACCKBROPRK1PDE3AGABRA1
SCHEMBL4424339 0.87 GABRA1 (0.66) LMNACCKBROPRK1PDE3AGABRA1
SCHEMBL11389231 0.87 LMNA (0.62) LMNACCKBROPRK1PDE3AGABRA1
SCHEMBL7091758 0.87 GABRA1 (0.66) LMNACCKBROPRK1PDE3AGABRA1
SCHEMBL11074960 0.85 CCKBR (0.66) LMNACCKBROPRK1GABRA1GABRG2
SCHEMBL11060317 0.85 OPRK1 (0.55) LMNACCKBROPRK1PDE3AGABRA1
SCHEMBL11069942 0.85 CCKBR (0.66) LMNACCKBROPRK1GABRA1GABRG2
SCHEMBL11060309 0.85 OPRK1 (0.55) LMNACCKBROPRK1PDE3AGABRA1
SCHEMBL11068726 0.85 CCKBR (0.66) LMNACCKBROPRK1GABRA1GABRG2

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 LMNA 715/4885CCKBR 2021/4885OPRK1 4607/4885

“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.