SCHEMBL2824926

SCHEMBL2824926

CCOC(=O)Cn1cc(C)ccc1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
KDM4E B2RXH2 4/20 0.65
MAPT P10636 2/20 0.65
POLB P06746 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
CYP2C19 P33261 1/20 0.48
PIN1 Q13526 1/20 0.47
PIN4 Q9Y237 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 1/20 0.46
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.45
PPARG P37231 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
SCHEMBL9609773 0.85 KDM4E (0.67) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL7477852 0.84 TSHR (0.54) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL26104234 0.84 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL118239 0.84 KMT2A (0.48) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL5693218 0.83 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL4251585 0.83 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL16867095 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL4249784 0.81 LMNA (0.46) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL13837819 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL26104222 0.79 RAB9A (0.56) ALDH1A1KDM4EMAPTSMN1; SMN2RAB9A

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 1207/4885MAPT 348/4885

“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.