SCHEMBL2829023

SCHEMBL2829023

NNC(=O)Cc1cc(O)no1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.44
KDM6B O15054 1/20 0.39
KDM4A O75164 1/20 0.39
KDM5A P29375 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
KDM4E B2RXH2 6/20 0.35
GAA P10253 3/20 0.34
ALDH1A1 P00352 6/20 0.33
AOC2 O75106 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PKM P14618 1/20 0.33
NSD2 O96028 1/20 0.32
LMNA P02545 1/20 0.32
ALPL P05186 1/20 0.32
POLB P06746 1/20 0.32
ALPI P09923 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL2828248 0.81 VHL (0.67) VHLKDM4EALDH1A1MEN1KMT2A
SCHEMBL30350752 0.79 HTT (0.37) VHLHTT
Hydrochloric Acid SCHEMBL314902 0.79 VHL (0.65) VHLKDM4EALDH1A1MEN1KMT2A
SCHEMBL7423467 0.77 VHL (0.38) VHLCYP3A4KDM4EGAAALDH1A1
SCHEMBL1755781 0.72
SCHEMBL2402699 0.69 MMP2 (0.36) ALDH1A1MEN1KMT2APKMLMNA
SCHEMBL2825318 0.69 CYP1A2 (0.45) KDM6BKDM4AKDM5ACYP1A2CYP3A4
SCHEMBL2400011 0.69 NPC1 (0.41) VHLCYP1A2CYP2C9ALDH1A1MEN1
Muscimol SCHEMBL8680242 0.69 NOTUM (0.46) CYP2C9KDM4EMEN1KMT2A
Muscimol SCHEMBL352714 0.69

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 VHL 3994/4885KDM6B 2289/4885KDM4A 1610/4885

“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.