SCHEMBL4516247

SCHEMBL4516247

CC(C)(C)OC(=O)N1c2ccccc2CC1C(=O)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
TP53 P04637 3/20 0.46
HDAC8 Q9BY41 1/20 0.45
ROCK2 O75116 1/20 0.43
AKT1 P31749 1/20 0.43
CYP17A1 P05093 2/20 0.43
XIAP P98170 1/20 0.43
NPC1 O15118 1/20 0.41

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
SCHEMBL845364 0.84 LMNA (0.52) LMNAPTPN2PTPN1PTPN6TP53
SCHEMBL4527081 0.84 HDAC8 (0.60) LMNAPTPN2PTPN1PTPN6HDAC8
SCHEMBL4525955 0.84 HDAC8 (0.60) LMNAPTPN2PTPN1PTPN6HDAC8
SCHEMBL30681423 0.79 PTPN1 (0.46) LMNAPTPN1
SCHEMBL17931067 0.78 LMNA (0.52) LMNATP53
SCHEMBL22673082 0.78 LMNA (0.44) LMNA
SCHEMBL23885434 0.76 LMNA (0.43) LMNATP53
SCHEMBL23885571 0.76 LMNA (0.43) LMNATP53
SCHEMBL7902824 0.76 KCNQ1 (0.53) LMNANPC1
SCHEMBL2827018 0.75 DRD2 (0.51) LMNAPTPN1

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
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
CN-101253152-A Amide derivatives as ROCK inhibitors ASTELLAS PHARMA INC (JP) 2008-08-27 CN disclosed
EP-1922306-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 WO 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA LMNA 3083/4885PTPN2 1253/4885PTPN1 1462/4885

“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.