SCHEMBL2822798

SCHEMBL2822798

COC(=O)Cc1ccno1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
HSP90AB1 P08238 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ALDH1A1 P00352 4/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
HSD17B10 Q99714 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90B1 P14625 1/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL752460 0.82 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9APKMNFKB1
SCHEMBL27503059 0.80 KMT2A (0.47) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL27908114 0.77 CYP1A2 (0.47) SMN1; SMN2ALDH1A1HSD17B10KDM4EKMT2A
SCHEMBL1650609 0.76
SCHEMBL2825318 0.74 CYP1A2 (0.45) ALDH1A1KDM4ECCNE1CDK2GSK3B
SCHEMBL17581887 0.74 HSP90AB1 (0.50) CYP4F2CYP4A11HSP90AB1SMN1; SMN2NPC1
SCHEMBL7603557 0.72 MEN1 (0.33) ALDH1A1GAAHSP90AA1HSP90B1KMT2A
SCHEMBL14205589 0.70 ALDH1A1 (0.51) ALDH1A1HSD17B10KMT2ALMNAMEN1
SCHEMBL3140774 0.70
SCHEMBL25885693 0.69 ACE2 (0.47) SMN1; SMN2PKMALDH1A1GAAGFER

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
EP-1937688-B1 IMIDAZO BENZODIAZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
US-7507729-B2 for the treatment of cognitive disorders, anxiety, schizophrenia, and Alzheimer's disease; ligands; GABA A alpha 5 receptor inhibitors; 3-bromo-10-chloro-6-(2-oxo-pyrrolidin-1-ylmethyl)-9H-imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US disclosed
EP-1937688-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-02 EP disclosed
WO-2007042421-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-19 WO disclosed
US-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2007-04-12 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-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives GABRA5, GABRA1, GABRA4 CYP4F2 1188/4885CYP4A11 343/4885HSP90AB1 1774/4885

“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.