SCHEMBL4512018

SCHEMBL4512018

N[C@@H](Cc1cccs1)C(=O)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.60
CTSC P53634 9/20 0.52
LMNA P02545 1/20 0.48
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 2/20 0.46
ALDH1A1 P00352 3/20 0.45
RECQL P46063 1/20 0.45
CIT O14578 1/20 0.45
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL4518039 1.00 AAK1 (0.60) AAK1CTSCLMNAROCK2ROCK1
SCHEMBL27723723 1.00 AAK1 (0.60) AAK1CTSCLMNAROCK2ROCK1
SCHEMBL10259587 0.82 IKBKB (0.48) AAK1CTSCLMNAROCK2ALDH1A1
SCHEMBL10260826 0.81 ROCK2 (0.64) AAK1ROCK2ROCK1CIT
SCHEMBL2802593 0.81 ROCK2 (0.64) AAK1ROCK2ROCK1CIT
SCHEMBL2802584 0.81 ROCK2 (0.64) AAK1ROCK2ROCK1CIT
SCHEMBL4535762 0.80 ROCK2 (0.69) LMNAROCK2ROCK1ALDH1A1RAB9A
SCHEMBL27744383 0.80 ROCK2 (0.69) LMNAROCK2ROCK1ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL4525075 0.80 ROCK2 (0.62) AAK1ROCK2ROCK1CIT
SCHEMBL4519745 0.78 AAK1 (0.53) AAK1ROCK2ROCK1ALDH1A1CIT

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 10 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-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
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
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 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
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 AAK1 736/4885CTSC 1388/4885LMNA 3083/4885

“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.