SCHEMBL2824082

SCHEMBL2824082

NNC(=O)Cn1cccc(C(F)(F)F)c1=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
RXFP1 Q9HBX9 2/20 0.48
TP53 P04637 3/20 0.46
ELANE P08246 6/20 0.45
KDM4E B2RXH2 3/20 0.44
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4591850 0.81 MAPT (0.63) MAPTRXFP1TP53ELANEKDM4E
SCHEMBL2823548 0.77 MMP2 (0.45) TP53ELANEKDM4ENPC1KMT2A
SCHEMBL2822718 0.77 KDM4E (0.43) RXFP1TP53ELANEKDM4ENPC1
SCHEMBL2825783 0.74 MAPT (0.55) MAPTRXFP1TP53ELANEKDM4E
SCHEMBL26817055 0.74 MAPT (0.54) MAPTRXFP1TP53KDM4EPOLB
SCHEMBL2824585 0.73 ALDH1A1 (0.50) TP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL27739336 0.73 MAPT (0.52) MAPTRXFP1TP53KDM4EATM
SCHEMBL2825177 0.71 PSMB5 (0.55) KDM4EPOLBNPC1MEN1KMT2A
SCHEMBL3388058 0.71 MAPT (0.48) MAPTRXFP1ELANEKDM4EATM
SCHEMBL5901569 0.71 KDM4E (0.55) MAPTRXFP1TP53KDM4EATM

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 MAPT 348/4885RXFP1 1085/4885TP53 3276/4885

“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.