SCHEMBL2828704

SCHEMBL2828704

Cn1cccc1CC(=O)NN

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 7/20 0.55
ALDH1A1 P00352 7/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2C9 P11712 1/20 0.55
MAPT P10636 9/20 0.53
KDM4E B2RXH2 6/20 0.53
POLB P06746 3/20 0.53
RAB9A P51151 4/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
GFER P55789 1/20 0.50
PKM P14618 2/20 0.49
USP2 O75604 1/20 0.49
BLM P54132 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL6217005 0.79 ALDH1A1 (0.48) RECQLALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL867896 0.77 ALDH1A1 (0.53) RECQLALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL14828743 0.77 ALDH1A1 (0.53) RECQLALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL687742 0.76 ALDH1A1 (0.49) RECQLALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL28630338 0.76 ALDH1A1 (0.52) RECQLALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL14664143 0.76 MAPT (0.50) RECQLALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL14665139 0.74 ALDH1A1 (0.47) RECQLALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL1877283 0.72 RAB9A (0.57) ALDH1A1CYP2C9MAPTKDM4EPOLB
SCHEMBL18539288 0.71
SCHEMBL18415482 0.70 RAB9A (0.64) ALDH1A1CYP1A2CYP2C19CYP2C9MAPT

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 RECQL 4067/4885ALDH1A1 313/4885CYP1A2 336/4885

“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.