SCHEMBL169074

SCHEMBL169074

COC(=O)c1cccc(C(=O)N2CCCC2c2ccncc2)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.58
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
SCD O00767 1/20 0.49
HSD11B1 P28845 1/20 0.48
PARP14 Q460N5 1/20 0.47
PARP10 Q53GL7 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46

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
SCHEMBL166794 0.91 ROCK2 (0.60) ROCK2KDM4EALDH1A1SCDPARP14
SCHEMBL166098 0.89 KDM4E (0.66) ROCK2KDM4EALDH1A1SCD
SCHEMBL165005 0.87 SCD (0.55) ROCK2KDM4EALDH1A1SCDHSD11B1
SCHEMBL16565652 0.82 SCD (0.60) ROCK2SCDHSD11B1PARP14PARP10
SCHEMBL164337 0.82 ROCK2 (0.52) ROCK2KDM4EALDH1A1HSD11B1HSP90AA1
SCHEMBL164861 0.82 POLB (0.53) ROCK2ALDH1A1HSD17B10HSP90AA1HSP90AB1
SCHEMBL13753514 0.80 KMT2A (0.58) ROCK2KDM4EALDH1A1
SCHEMBL20826492 0.80 KMT2A (0.58) ROCK2KDM4EALDH1A1
SCHEMBL175142 0.80 JMJD6 (0.50) ROCK2ALDH1A1HSP90AA1HSP90AB1
SCHEMBL165106 0.80 ROCK2 (0.50) ROCK2SCDHSP90AA1HSP90AB1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611441-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-10 EP disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 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-20120053200-A1 BACE 2 INHIBITORS BACE2, BACE1, PSEN2 ROCK2 1674/4885KDM4E 2480/4885ALDH1A1 756/4885

“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.