SCHEMBL7541208

SCHEMBL7541208

CCN1C(=O)CN=C(c2ccccc2)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.68
GABRG2 P18507 1/20 0.68
GABRB3 P28472 1/20 0.68
GABRA5 P31644 1/20 0.68
CCKBR P32239 1/20 0.68
GABRA3 P34903 1/20 0.68
GABRA2 P47869 1/20 0.68
GABRB2 P47870 1/20 0.68
NPSR1 Q6W5P4 2/20 0.65
GAA P10253 2/20 0.65
HTT P42858 1/20 0.65
GPR55 Q9Y2T6 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.63
KDM4E B2RXH2 1/20 0.63
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
HDAC3 O15379 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59

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
SCHEMBL8851595 0.89 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA5CCKBR
SCHEMBL9380657 0.85 HDAC3 (0.69) GABRA1GABRG2GABRB3GABRA5CCKBR
SCHEMBL11575757 0.85 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5CCKBR
SCHEMBL23560411 0.85 GABRA1 (0.63) GABRA1GABRG2GABRB3GABRA5CCKBR
SCHEMBL4413309 0.85 GABRA1 (0.63) GABRA1GABRG2GABRB3GABRA5CCKBR
SCHEMBL27562818 0.84 NPSR1 (0.78) GABRA1GABRG2GABRB3GABRA5CCKBR
SCHEMBL5355886 0.84 OPRK1 (0.73) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12143205 0.84 SMN1; SMN2 (0.67) GABRA1GABRG2GABRB3GABRA5CCKBR
SCHEMBL6985755 0.84 GABRA1 (0.65) GABRA1GABRG2GABRB3GABRA5CCKBR
SCHEMBL11576814 0.84 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRA5CCKBR

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
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2016-08-04 US disclosed
US-20140179678-A1 METHODS OF TARGETED TREATMENT OF FRONTOTEMPORAL LOBAR DEGENERATION FMR LLC 2014-06-26 US disclosed
CN-1812982-B Benzodiazepine CGRP receptor antagonists MERCK & CO INC 2010-10-27 CN disclosed
EP-1024811-A4 NOVEL BENZODIAZEPINE DERIVATIVES AS ANTIARRHYTHMIC AGENTS MERCK & CO INC (US) 2002-11-13 EP disclosed
US-6214823-B1 CARDIOVASCULAR DISORDERS MERCK & CO., INC. 2001-04-10 US disclosed
EP-1024811-A1 NOVEL BENZODIAZEPINE DERIVATIVES AS ANTIARRHYTHMIC AGENTS Merck & Co., Inc. (US) 2000-08-09 EP disclosed
WO-1999020281-A1 NOVEL BENZODIAZEPINE DERIVATIVES AS ANTIARRHYTHMIC AGENTS MERCK & CO., INC. (US) 1999-04-29 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 (2 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-20140179678-A1 METHODS OF TARGETED TREATMENT OF FRONTOTEMPORAL LOBAR DEGENERATION GRN, PRPH, TDP2 GABRA1 2575/4885GABRG2 2820/4885GABRB3 1455/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 GABRA1 1228/4885GABRG2 1128/4885GABRB3 612/4885

“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.