SCHEMBL4593210

SCHEMBL4593210

Cc1ncn(-c2ccc([N+](=O)[O-])cc2C#N)c1C[N+](C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
LMNA P02545 5/20 0.48
GAA P10253 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
VCAM1 P19320 1/20 0.41
BCHE P06276 1/20 0.39
RECQL P46063 1/20 0.37
HTT P42858 2/20 0.37
HPGD P15428 1/20 0.35
ELANE P08246 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL4592691 0.86 ALDH1A1 (0.47) ALDH1A1LMNAGAASMN1; SMN2MAPT
SCHEMBL2823311 0.83 P2RX3 (0.33)
SCHEMBL2828266 0.81 GABRG2 (0.35)
SCHEMBL2825991 0.76 GABRG2 (0.41)
SCHEMBL4593671 0.74 LMNA (0.54) ALDH1A1LMNAGAASMN1; SMN2MAPT
SCHEMBL960742 0.72 ALDH1A1 (0.54) ALDH1A1LMNAGAASMN1; SMN2MAPT
SCHEMBL1038330 0.72 ALDH1A1 (0.54) ALDH1A1LMNAGAASMN1; SMN2MAPT
SCHEMBL23909950 0.70 LMNA (0.49) ALDH1A1LMNAGAASMN1; SMN2MAPT
SCHEMBL21071696 0.69 ALDH1A1 (0.51) ALDH1A1LMNAGAASMN1; SMN2MAPT
SCHEMBL2825143 0.68 KDM4E (0.44) ALDH1A1GAAHPGD

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 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.