SCHEMBL10160503

SCHEMBL10160503

COc1ccc(NC(=O)Cc2cccc(NC(=O)CCC3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.65
NPSR1 Q6W5P4 1/20 0.58
USP30 Q70CQ3 1/20 0.50
ALDH1A1 P00352 7/20 0.49
LMNA P02545 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
KMT2A Q03164 3/20 0.48
HTT P42858 2/20 0.48
ANO1 Q5XXA6 1/20 0.46
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TARDBP Q13148 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
STAT3 P40763 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
SCHEMBL307135 0.94 NPSR1 (0.58) ROCK2NPSR1USP30ALDH1A1LMNA
SCHEMBL31227478 0.81 USP30 (0.53) USP30ALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL10160566 0.80 USP30 (0.49) ROCK2USP30ALDH1A1SMN1; SMN2KMT2A
SCHEMBL306202 0.79 ROCK2 (1.00) ROCK2NPSR1ALDH1A1LMNASMN1; SMN2
SCHEMBL5870833 0.75 USP30 (0.51) USP30KMT2AMEN1CYP3A4CYP2C9
SCHEMBL31511651 0.73 CYP2C9 (0.46) USP30ALDH1A1KMT2AMAPTL3MBTL1
SCHEMBL308241 0.73 ROCK2 (0.65) ROCK2USP30ALDH1A1LMNAKMT2A
SCHEMBL307461 0.72 ROCK2 (0.86) ROCK2NPSR1ALDH1A1LMNASMN1; SMN2
SCHEMBL31511507 0.72 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2KMT2AMAPT
SCHEMBL307257 0.71 RAB9A (0.58) ROCK2NPSR1ALDH1A1LMNASMN1; SMN2

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-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 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-20100041645-A1 RHO KINASE INHIBITORS CIT, ROCK1, RHOT2 ROCK2 4/4885NPSR1 4307/4885USP30 949/4885

“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.