SCHEMBL166794

SCHEMBL166794

COC(=O)c1cccc(C(=O)N2CCCC2c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.60
PARP14 Q460N5 1/20 0.57
PARP10 Q53GL7 1/20 0.57
RIPK1 Q13546 1/20 0.55
HSP90AA1 P07900 2/20 0.52
HSP90AB1 P08238 2/20 0.52
SCD5 Q86SK9 4/20 0.49
SCD O00767 2/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RBP4 P02753 1/20 0.47

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
SCHEMBL169074 0.91 ROCK2 (0.58) ROCK2PARP14PARP10HSP90AA1HSP90AB1
SCHEMBL168416 0.88 RIPK1 (0.53) ROCK2PARP14PARP10RIPK1HSP90AA1
SCHEMBL166098 0.87 KDM4E (0.66) ROCK2SCDKDM4EALDH1A1
SCHEMBL164387 0.86 PARP14 (0.60) ROCK2PARP14PARP10RIPK1HSP90AA1
SCHEMBL20826492 0.82 KMT2A (0.58) ROCK2KDM4EALDH1A1RBP4
SCHEMBL13753514 0.82 KMT2A (0.58) ROCK2KDM4EALDH1A1RBP4
SCHEMBL168788 0.81 ROCK2 (0.49) ROCK2HSP90AA1HSP90AB1ALDH1A1
SCHEMBL164861 0.81 POLB (0.53) ROCK2HSP90AA1HSP90AB1ALDH1A1
SCHEMBL164502 0.81 RIPK1 (0.46) ROCK2PARP14PARP10RIPK1HSP90AA1
SCHEMBL8542566 0.81 ROCK2 (0.62) ROCK2PARP14PARP10SCD5SCD

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 1674/4885PARP14 2192/4885PARP10 2224/4885

“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.