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SCHEMBL307135

SCHEMBL307135

COc1ccc(NC(=O)CCc2cccc(NC(=O)CCC3CCCN(C(=O)OC(C)(C)C)C3)c2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.58
▸ ROCK2 O75116 2/20 0.56
▸ USP30 Q70CQ3 1/20 0.50
▸ ALDH1A1 P00352 6/20 0.49
▸ LMNA P02545 5/20 0.49
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ GFER P55789 1/20 0.43
▸ TARDBP Q13148 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL10160503 0.94 ROCK2 (0.65) NPSR1ROCK2USP30ALDH1A1LMNA
SCHEMBL10160566 0.87 USP30 (0.49) ROCK2USP30ALDH1A1KMT2ASMN1; SMN2
SCHEMBL31227478 0.81 USP30 (0.53) USP30ALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL307461 0.79 ROCK2 (0.86) NPSR1ROCK2ALDH1A1LMNANPC1
SCHEMBL307257 0.78 RAB9A (0.58) NPSR1ROCK2ALDH1A1LMNANPC1
SCHEMBL5870833 0.75 USP30 (0.51) USP30RAB9AKMT2AMEN1CYP3A4
SCHEMBL4442141 0.74 ROCK2 (0.76) NPSR1ROCK2ALDH1A1LMNANPC1
SCHEMBL31511651 0.73 CYP2C9 (0.46) USP30ALDH1A1RAB9AKMT2AL3MBTL1
SCHEMBL308241 0.73 ROCK2 (0.65) ROCK2USP30ALDH1A1LMNAKMT2A
SCHEMBL22365406 0.72 SLC2A1 (0.50) USP30ALDH1A1

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
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-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 NPSR1 4307/4885ROCK2 4/4885USP30 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.