SCHEMBL6756986

SCHEMBL6756986

CCOC(=O)c1ncccc1-c1ccccc1C(N)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
TDP2 O95551 4/20 0.40
GABRG2 P18507 5/20 0.40
GABRB3 P28472 5/20 0.40
GABRA5 P31644 5/20 0.40
GABRA1 P14867 3/20 0.40
GABRA3 P34903 3/20 0.40
GABRA2 P47869 2/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 1/20 0.40
GABRQ Q9UN88 1/20 0.40
KDM4E B2RXH2 2/20 0.38
CASP1 P29466 1/20 0.37

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
SCHEMBL6482417 0.77 CYP1A2 (0.49) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL6761028 0.76 L3MBTL1 (0.35) KDM4EPOLBMAPT
SCHEMBL6756990 0.75 KCNA5 (0.49) BRD4TDP2KDM4EMAPTHTT
SCHEMBL14895436 0.74 BRD4 (0.55) BRD4TDP2KDM4ECASP1HSD17B10
SCHEMBL25780927 0.73 BRD4 (0.56) BRD4TDP2GABRA2GABRB2KDM4E
SCHEMBL25780703 0.72 BRD4 (0.58) BRD4TDP2GABRG2GABRB3GABRA5
SCHEMBL498660 0.72 MYC (0.42) KDM4EHSD17B10MAPTMAPK1
SCHEMBL4906896 0.69 BRD4 (0.70) BRD4TDP2MAPTHTT
SCHEMBL29479606 0.69 BRD4 (0.51) BRD4TDP2GABRG2GABRB3GABRA5
SCHEMBL27911015 0.69 KMT2A (0.43) KDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794377-B2 ORTHO, ORTHO-SUBSTITUTED NITROGEN-CONTAINING BISARYL COMPOUNDS, USEFUL FOR THE TREATMENT AND PROPHYLAXIS OF ATRIAL ARRHYMIAS, E.G. ATRAIL FIBRILLATION OR ATRIAL FLUTTERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-21 US disclosed
US-20030060470-A1 Ortho, ortho-substituted nitrogen-containing bisaryl compounds, processes for their preparation, their use as medicaments, and pharmaceutical preparation comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-03-27 US 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-20030060470-A1 Ortho, ortho-substituted nitrogen-containing bisaryl compounds, processes for their preparation, their use as medicaments, and pharmaceutical preparation comprising them OXER1, PON1, CYP2C9 BRD4 2100/4885TDP2 3041/4885GABRG2 3611/4885

“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.