SCHEMBL4514014

SCHEMBL4514014

CC(C)(C)OC(=O)Nc1cccc(C(N)=NO)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
KAT6A Q92794 1/20 0.51
CYP17A1 P05093 1/20 0.46
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
PARP14 Q460N5 2/20 0.44
CYP1A2 P05177 1/20 0.44
NAMPT P43490 1/20 0.43
HPGD P15428 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
HCRTR1 O43613 1/20 0.42

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
SCHEMBL8268111 1.00 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL607975 0.86 HDAC3 (0.57) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL13153892 0.83 HDAC1 (0.50) HDAC1HDAC2CYP17A1ALDH1A1NAMPT
SCHEMBL16137952 0.83 HDAC1 (0.50) HDAC1HDAC2CYP17A1ALDH1A1NAMPT
SCHEMBL20836739 0.83 HDAC1 (0.50) HDAC1HDAC2CYP17A1ALDH1A1NAMPT
SCHEMBL29867230 0.83 CYP1A2 (0.61) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5337975 0.83 CYP1A2 (0.61) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL11087051 0.83 HDAC3 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL11087050 0.83 HDAC3 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29435026 0.81 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948624-B1 PROCESS FOR THE PREPARATION OF BENZO[E][1,2,4]TRIAZEPIN-2-ONE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2013-10-23 EP disclosed
US-7582753-B2 Process for the preparation of benzotriazepine derivatives JANSSENPHARMACEUTICA, NV (BE) 2009-09-01 US disclosed
US-20070066819-A1 PROCESS FOR THE PREPARATION OF BENZOTRIAZEPINE DERIVATIVES JANSSEN PHARMACUETICA N.V., (BE) 2007-03-22 US disclosed
EP-0508796-B1 Cholecystokinin antagonists MERCK & CO INC (US) 1998-07-08 EP disclosed
US-5597915-A ANTAGONISTS OF CHOLECYSTOKININ AND GASTRIN RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1997-01-28 US disclosed
EP-0637308-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY MERCK SHARP & DOHME LTD. (GB) 1995-02-08 EP disclosed
WO-1993019063-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY MERCK SHARP & DOHME LIMITED (GB) 1993-09-30 WO disclosed
US-5220018-A Benzodiazepine derivatives MERCK & CO., INC. (US) 1993-06-15 US disclosed
EP-0508796-A1 Cholecystokinin antagonists MERCK & CO. INC. (US) 1992-10-14 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-20070066819-A1 PROCESS FOR THE PREPARATION OF BENZOTRIAZEPINE DERIVATIVES CCKBR, CCKAR, GRPR HDAC3 482/4885HDAC1 1109/4885HDAC2 776/4885

“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.