Sugi Predict

Sugi Predict / Compounds / SCHEMBL308241

SCHEMBL308241

SCHEMBL308241

COc1ccc(C(=O)NCc2cccc(C(=O)NCCC3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 10/20 0.65
▸ PKN2 Q16513 1/20 0.64
▸ CYP3A4 P08684 3/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ ROCK1 Q13464 2/20 0.51
▸ USP30 Q70CQ3 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ BCHE P06276 2/20 0.48
▸ HTR6 P50406 2/20 0.48
▸ POLB P06746 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ACKR3 P25106 1/20 0.46

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
SCHEMBL306732 0.87 ROCK2 (0.72) ROCK2PKN2CYP3A4CYP2C9ROCK1
SCHEMBL306945 0.79 ROCK2 (1.00) ROCK2PKN2CYP3A4CYP2C9ROCK1
SCHEMBL307182 0.78 ROCK2 (1.00) ROCK2PKN2CYP3A4CYP2C9ROCK1
SCHEMBL307311 0.73 ROCK2 (0.73) ROCK2PKN2CYP3A4CYP2C9ROCK1
SCHEMBL307135 0.73 NPSR1 (0.58) ROCK2CYP3A4CYP2C9USP30ALDH1A1
SCHEMBL10160503 0.73 ROCK2 (0.65) ROCK2CYP3A4CYP2C9USP30ALDH1A1
SCHEMBL18689856 0.73 BRD4 (0.67) CYP2C9BCHEHTR6
SCHEMBL306438 0.72 ROCK2 (0.60) ROCK2CYP3A4CYP2C9ROCK1ALDH1A1
SCHEMBL14740746 0.72 USP30 (0.56) USP30BCHEHTR6ACKR3
SCHEMBL29842299 0.72 USP30 (0.72) USP30

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
EP-2114869-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 — — EP disclosed
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-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
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 — — US disclosed
EP-2114869-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-11-11 — — EP disclosed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 — — WO 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 4/4885PKN2 332/4885CYP3A4 2048/4885

“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.