SCHEMBL2824950

SCHEMBL2824950

CCOC(=O)Cn1cccc(Br)c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ GSK3A P49840 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ PIN1 Q13526 1/20 0.44
▸ PIN4 Q9Y237 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL2831481 0.84 ALDH1A1 (0.52) ALDH1A1KDM4EMEN1KMT2AGSK3A
SCHEMBL29255151 0.84 KDM4E (0.49) ALDH1A1KDM4EKMT2AGAATSHR
SCHEMBL5180011 0.83 ALDH1A1 (0.51) ALDH1A1KDM4EGSK3AGSK3BPIN1
SCHEMBL3911656 0.82 ALDH1A1 (0.50) ALDH1A1KDM4EGSK3AGSK3BPIN1
SCHEMBL30874370 0.81 KDM4E (0.47) ALDH1A1KDM4EMEN1KMT2AGSK3A
SCHEMBL18956056 0.81 KDM4E (0.47) ALDH1A1KDM4EMEN1KMT2AGSK3A
SCHEMBL2825127 0.81 KDM4E (0.49) ALDH1A1KDM4EGSK3AGSK3BPIN1
SCHEMBL2825783 0.78 MAPT (0.55) ALDH1A1KDM4EGSK3AGSK3BRXFP1
SCHEMBL30894006 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EGSK3AGSK3BNPSR1
SCHEMBL2237187 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EKMT2AGSK3AGSK3B

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 ALDH1A1 313/4885KDM4E 1207/4885MEN1 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.

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