SCHEMBL4593671

SCHEMBL4593671

Cc1cncn1-c1ccc([N+](=O)[O-])cc1C#N

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.54
ALDH1A1 P00352 5/20 0.54
GAA P10253 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
VCAM1 P19320 2/20 0.47
BCHE P06276 1/20 0.43
ELANE P08246 1/20 0.39
RECQL P46063 1/20 0.39
HTT P42858 1/20 0.38
MAPK1 P28482 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
SCHEMBL7081345 0.80 MAPT (0.47) LMNAALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL2480440 0.78 HTT (0.49) LMNAALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL2825270 0.77 CYP19A1 (0.35)
SCHEMBL960742 0.74 ALDH1A1 (0.54) LMNAALDH1A1GAASMN1; SMN2MAPT
SCHEMBL1038330 0.74 ALDH1A1 (0.54) LMNAALDH1A1GAASMN1; SMN2MAPT
SCHEMBL1828659 0.74 GRIA1 (0.39) ALDH1A1MAPTMEN1KMT2AVCAM1
SCHEMBL4593210 0.74 ALDH1A1 (0.48) LMNAALDH1A1GAASMN1; SMN2MAPT
SCHEMBL3156146 0.74 LMNA (0.57) LMNAALDH1A1GAASMN1; SMN2MAPT
SCHEMBL11775775 0.73 CYP19A1 (0.43) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL4592691 0.73 ALDH1A1 (0.47) LMNAALDH1A1GAASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 LMNA 3773/4885ALDH1A1 619/4885GAA 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.