SCHEMBL307257

SCHEMBL307257

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
LMNA P02545 4/20 0.55
GAA P10253 3/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
KMT2A Q03164 2/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.50
PKM P14618 1/20 0.50
ROCK2 O75116 1/20 0.49
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL10195848 0.86 MAPT (0.62) RAB9ANPC1LMNAGAAALDH1A1
SCHEMBL10809983 0.82 ALDH1A1 (0.72) RAB9ANPC1GAAALDH1A1SMN1; SMN2
SCHEMBL21643252 0.82 LMNA (0.49) LMNAGAAALDH1A1SMN1; SMN2KMT2A
SCHEMBL5777563 0.81 AURKA (0.51) RAB9AGAAMAPTHDAC1HDAC2
SCHEMBL3929633 0.81 SIRT2 (0.52) RAB9AGAAALDH1A1HPGDMAPT
SCHEMBL13623204 0.81 MAPT (0.54) RAB9AGAAALDH1A1HTTHPGD
SCHEMBL18760165 0.81 NPC1 (0.67) RAB9ANPC1LMNAGAAALDH1A1
SCHEMBL306804 0.81 RAB9A (0.65) RAB9ANPC1LMNAGAASMN1; SMN2
SCHEMBL8214435 0.80 CYP3A4 (0.48) RAB9AGAAALDH1A1HPGDMAPT
SCHEMBL306849 0.80 ITGB3 (0.52) RAB9AGAAMAPT

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
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-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

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 RAB9A 214/4885NPC1 3330/4885LMNA 2642/4885

“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.