SCHEMBL2828050

SCHEMBL2828050

CCOC(=O)Cn1c(C)cc(C)cc1=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
RAB9A P51151 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 4/20 0.51
TSHR P16473 1/20 0.51
GSK3A P49840 2/20 0.49
GSK3B P49841 2/20 0.49
ENPP2 Q13822 1/20 0.45
PIN1 Q13526 1/20 0.44
PIN4 Q9Y237 1/20 0.44

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
SCHEMBL7220336 0.85 POLB (0.62) KDM4ERAB9AMEN1KMT2ATDP1
SCHEMBL4592075 0.79 KDM4E (0.49) KDM4EMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL7214687 0.77 ALDH1A1 (0.56) KDM4ERAB9AMEN1KMT2ATDP1
SCHEMBL7214682 0.77 ALDH1A1 (0.56) KDM4ERAB9AMEN1KMT2ATDP1
SCHEMBL7214686 0.77 ALDH1A1 (0.56) KDM4ERAB9AMEN1KMT2ATDP1
SCHEMBL2827984 0.77 ALDH1A1 (0.59) KDM4ERAB9AMEN1KMT2ATDP1
SCHEMBL7214293 0.76 KDM4E (0.53) KDM4ERAB9AMEN1KMT2ATDP1
SCHEMBL7219643 0.75 KDM4E (0.43) KDM4ERAB9AMEN1KMT2ATDP1
SCHEMBL1988320 0.74 ALDH1A1 (0.66) KDM4ERAB9AMEN1KMT2ATDP1
SCHEMBL11837808 0.74 POLB (0.64) KDM4ERAB9AMEN1KMT2ATDP1

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 1207/4885RAB9A 1475/4885MEN1 4155/4885

“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.