SCHEMBL3571863

SCHEMBL3571863

COc1ccc(-c2nc3c4cc(Cl)ccc4[nH]c(=O)n3n2)cc1OC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.63
ALDH1A1 P00352 2/20 0.63
HPGD P15428 1/20 0.63
HSD17B10 Q99714 1/20 0.63
ADORA3 P0DMS8 2/20 0.58
POLB P06746 1/20 0.55
ADORA1 P30542 1/20 0.52
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
HAVCR2 Q8TDQ0 1/20 0.49
XDH P47989 1/20 0.48
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48

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
SCHEMBL22987949 0.88 KDM4E (0.72) KDM4EALDH1A1HPGDHSD17B10ADORA3
SCHEMBL10862685 0.83 ADORA3 (0.67) KDM4EALDH1A1HPGDHSD17B10ADORA3
SCHEMBL10715388 0.82 ADORA3 (0.62) ADORA3TP53SMN1; SMN2RXFP1XDH
SCHEMBL3567661 0.82 ADORA3 (0.62) ADORA3TP53SMN1; SMN2RXFP1XDH
SCHEMBL3564388 0.82 GABRP (0.72) KDM4EALDH1A1HPGDHSD17B10ADORA3
SCHEMBL10712253 0.80 ADORA3 (0.63) KDM4EALDH1A1HPGDHSD17B10ADORA3
SCHEMBL22988098 0.79 ADORA3 (0.59) ADORA3TP53SMN1; SMN2RXFP1HAVCR2
SCHEMBL22987895 0.79 KDM4E (0.81) KDM4EALDH1A1HPGDHSD17B10ADORA3
SCHEMBL22988100 0.78 KDM4E (0.78) KDM4EALDH1A1HPGDHSD17B10ADORA3
SCHEMBL10714714 0.78 ADORA3 (0.66) ADORA3ADORA1HAVCR2GABRPGABRD

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
US-8293730-B2 Substituted imidazo[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives HOFFMANN-LA ROCHE INC. (US) 2012-10-23 US disclosed
US-20100075954-A1 SUBSTITUTED IMIDAZO[1,5-A][1,2,4]TRIAZOLO[1,5-D][1,4]BENZODIAZEPINE DERIVATIVES KNUST HENNER 2010-03-25 US disclosed
US-7671048-B2 Substituted imidazo [1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-02 US disclosed
EP-1809297-B1 IMIDAZO[1,5A]TRIAZOLO[1,5D]BENZODIAZEPINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN LA ROCHE (CH) 2008-07-30 EP disclosed
US-20060079507-A1 Substituted imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine derivatives HOFFMANN-LA ROCHE INC. 2006-04-13 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 (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-20060079507-A1 Substituted imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine derivatives GABRA3, GABRA1, OXER1 KDM4E 3697/4885ALDH1A1 566/4885HPGD 1163/4885
US-20100075954-A1 SUBSTITUTED IMIDAZO[1,5-A][1,2,4]TRIAZOLO[1,5-D][1,4]BENZODIAZEPINE DERIVATIVES GABRA1, GABRA5, ADRA1A KDM4E 2644/4885ALDH1A1 116/4885HPGD 1381/4885

“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.