SCHEMBL164387

SCHEMBL164387

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

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.60
PARP10 Q53GL7 1/20 0.60
HSP90AA1 P07900 1/20 0.57
HSP90AB1 P08238 1/20 0.57
ROCK2 O75116 2/20 0.55
RIPK1 Q13546 1/20 0.55
SCD5 Q86SK9 5/20 0.54
SCD O00767 2/20 0.54
L3MBTL3 Q96JM7 1/20 0.51

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
SCHEMBL165005 0.90 SCD (0.55) PARP14PARP10HSP90AA1HSP90AB1ROCK2
SCHEMBL166844 0.86 ALDH1A1 (0.65) ROCK2SCD
SCHEMBL166794 0.86 ROCK2 (0.60) PARP14PARP10HSP90AA1HSP90AB1ROCK2
SCHEMBL166963 0.85 RIPK1 (0.54) PARP14PARP10HSP90AA1HSP90AB1ROCK2
SCHEMBL8596155 0.84 PARP14 (0.62) PARP14PARP10HSP90AA1HSP90AB1ROCK2
SCHEMBL8538915 0.82 HSP90AA1 (0.63) PARP14PARP10HSP90AA1HSP90AB1ROCK2
SCHEMBL166512 0.81 POLB (0.57) ROCK2L3MBTL3
SCHEMBL167401 0.80 ROCK2 (0.46) ROCK2L3MBTL3
SCHEMBL256556 0.79 RIPK1 (0.53) PARP14PARP10HSP90AA1HSP90AB1ROCK2
SCHEMBL16565652 0.79 SCD (0.60) PARP14PARP10HSP90AA1HSP90AB1ROCK2

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 7 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
CN-103079562-A BACE inhibitors for use in the treatment of diabetes HOFFMANN LA ROCHE 2013-05-01 CN 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 PARP14 2192/4885PARP10 2224/4885HSP90AA1 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.