SCHEMBL2824324

SCHEMBL2824324

CCOC(=O)Cc1cc(C)nn1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
PKM P14618 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
FFAR1 O14842 1/20 0.43
HSD17B10 Q99714 2/20 0.42
ATM Q13315 1/20 0.42
RECQL P46063 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.38
HPGD P15428 1/20 0.38
TRPA1 O75762 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL21570111 0.84 LMNA (0.49) KDM4ESMN1; SMN2MEN1MAPTKMT2A
SCHEMBL6606932 0.81 TSHR (0.42) SMN1; SMN2MEN1MAPTKMT2AFFAR1
SCHEMBL17653907 0.80 SMN1; SMN2 (0.42) KDM4ESMN1; SMN2PKMMEN1MAPT
SCHEMBL20353295 0.79 SMN1; SMN2 (0.43) KDM4ESMN1; SMN2MEN1KMT2AFFAR1
SCHEMBL2827976 0.79 LMNA (0.46) KDM4ESMN1; SMN2MEN1MAPTKMT2A
SCHEMBL5298727 0.78 ALDH1A1 (0.57) KDM4ESMN1; SMN2PKMMAPTHTT
SCHEMBL12492462 0.77 SMN1; SMN2 (0.42) KDM4ESMN1; SMN2MEN1KMT2AFFAR1
SCHEMBL4085587 0.77 HTT (0.47) KDM4ESMN1; SMN2PKMMEN1HTT
SCHEMBL5294292 0.76 LMNA (0.53) KDM4ESMN1; SMN2MAPTKMT2AHSD17B10
SCHEMBL23410338 0.76 KMT2A (0.49) KDM4ESMN1; SMN2MEN1MAPTHTT

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 KDM4E 1207/4885SMN1; SMN2 2359/4885PKM 2184/4885

“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.