SCHEMBL4592691

SCHEMBL4592691

Cc1ncn(-c2ccc([N+](=O)[O-])cc2C#N)c1CN(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
LMNA P02545 5/20 0.47
GAA P10253 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
VCAM1 P19320 1/20 0.40
BCHE P06276 1/20 0.38
RECQL P46063 1/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 1/20 0.35
ELANE P08246 1/20 0.35
GLA P06280 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34

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
SCHEMBL4593210 0.86 ALDH1A1 (0.48) ALDH1A1LMNAGAASMN1; SMN2MAPT
SCHEMBL2824987 0.83 P2RX3 (0.33)
SCHEMBL2824424 0.81 GABRG2 (0.35)
SCHEMBL2828243 0.81 CRHR1 (0.39)
SCHEMBL2824034 0.81 GABRG2 (0.35)
SCHEMBL2822935 0.81 NOS3 (0.36) MAPTKMT2A
SCHEMBL2827342 0.78 GABRG2 (0.38)
SCHEMBL2823800 0.78 KMT2A (0.40) ALDH1A1SMN1; SMN2MAPTKMT2AHPGD
SCHEMBL2825296 0.75 GABRG2 (0.41)
SCHEMBL4593671 0.73 LMNA (0.54) ALDH1A1LMNAGAASMN1; SMN2MAPT

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
CN-101115756-B Tetracyclic imidazo-benzodiazepines as GABA receptor modulators HOFFMANN LA ROCHE 2010-06-16 CN disclosed
US-7432256-B2 Substitued imidazo [1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives HOFFMAN-LA ROCHE INC. (US) 2008-10-07 US disclosed
EP-1828194-B1 TETRACYCLIC IMIDAZO-BENZODIAZEPINES AS GABA RECEPTORS MODULATORS HOFFMANN LA ROCHE (CH) 2008-05-28 EP disclosed
CN-101115756-A Tetracyclic imidazo-benzodiazepines * as GABA receptor modulators HOFFMANN LA ROCHE (CH) 2008-01-30 CN disclosed
EP-1828194-A1 TETRACYCLIC IMIDAZO-BENZODIAZEPINES AS GABA RECEPTORS MODULATORS F. Hoffmann-Roche AG (CH) 2007-09-05 EP disclosed
WO-2006063708-A1 TETRACYCLIC IMIDAZO-BENZODIAZEPINES AS GABA RECEPTORS MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO disclosed
US-20060128691-A1 Substituted imidazo[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives HOFFMANN-LA ROCHE INC. 2006-06-15 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-20060128691-A1 Substituted imidazo[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives GABRA3, GABRA5, GABRA1 ALDH1A1 619/4885LMNA 3773/4885GAA 2845/4885

“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.