SCHEMBL175142

SCHEMBL175142

COC(=O)c1cccc(C(=O)N2CCCC2c2ccn(C)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 4/20 0.50
ROCK2 O75116 2/20 0.50
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 2/20 0.44
KCNK3 O14649 1/20 0.44
RHOA P61586 1/20 0.43
ADAM17 P78536 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 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
SCHEMBL165326 0.88 JMJD6 (0.47) JMJD6ROCK2KCNK3ADAM17
SCHEMBL169074 0.80 ROCK2 (0.58) ROCK2HSP90AA1HSP90AB1ALDH1A1
SCHEMBL166794 0.80 ROCK2 (0.60) ROCK2HSP90AA1HSP90AB1ALDH1A1
SCHEMBL164337 0.79 ROCK2 (0.52) ROCK2HSP90AA1HSP90AB1RHOAMEN1
SCHEMBL20826492 0.77 KMT2A (0.58) ROCK2RHOAMEN1ALDH1A1KMT2A
SCHEMBL13753514 0.77 KMT2A (0.58) ROCK2RHOAMEN1ALDH1A1KMT2A
SCHEMBL166098 0.77 KDM4E (0.66) ROCK2ALDH1A1KMT2A
SCHEMBL165106 0.77 ROCK2 (0.50) ROCK2HSP90AA1HSP90AB1KCNK3RHOA
SCHEMBL164861 0.76 POLB (0.53) ROCK2HSP90AA1HSP90AB1RHOAMEN1
SCHEMBL168788 0.76 ROCK2 (0.49) ROCK2HSP90AA1HSP90AB1RHOAMEN1

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 JMJD6 2768/4885ROCK2 1674/4885HSP90AA1 3048/4885

“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.