SCHEMBL2825664

SCHEMBL2825664

Cc1cccc(=O)n1CC(=O)NN

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.49
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 3/20 0.44
PKM P14618 1/20 0.44
MPO P05164 1/20 0.42
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
AOC2 O75106 1/20 0.40
NPC1 O15118 2/20 0.38
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
P2RX7 Q99572 1/20 0.37
POLB P06746 1/20 0.35
THRB P10828 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
SCHEMBL4591971 0.79 KDM4E (0.49) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL9207480 0.78 KDM4E (0.56) KDM4EALDH1A1KMT2AL3MBTL1GAA
SCHEMBL2825300 0.77 KDM4E (0.47) MMP2KDM4EALDH1A1PKMMPO
SCHEMBL2827984 0.73 ALDH1A1 (0.59) KDM4EALDH1A1KMT2AL3MBTL1GAA
SCHEMBL28253810 0.73 AVPR2 (0.37) KDM4EALDH1A1POLB
SCHEMBL13029271 0.70 KDM4E (0.40) KDM4EALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL9545148 0.70 POLB (0.48) KDM4EALDH1A1KMT2ANPC1MEN1
SCHEMBL21384059 0.70 TP53 (0.43) KDM4EALDH1A1PKMKMT2ANPC1
SCHEMBL26980217 0.69 MMP2 (0.42) MMP2KDM4EALDH1A1PKMMPO
SCHEMBL21383975 0.69 HEXA (0.37) KDM4EALDH1A1KMT2AMEN1POLB

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 MMP2 4650/4885KDM4E 1207/4885ALDH1A1 313/4885

“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.