SCHEMBL3613697

SCHEMBL3613697

COc1ccc(NC(=O)Cc2cccc(C(N)=O)c2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.65
KMT2A Q03164 4/20 0.65
LMNA P02545 4/20 0.65
HTT P42858 3/20 0.65
EPHX2 P34913 1/20 0.60
MEN1 O00255 3/20 0.59
STAT3 P40763 1/20 0.59
BCHE P06276 2/20 0.58
ACHE P22303 2/20 0.58
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
NPSR1 Q6W5P4 2/20 0.56
ROCK2 O75116 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL306284 0.86 SMN1; SMN2 (0.66) SMN1; SMN2KMT2ALMNAHTTEPHX2
SCHEMBL7872336 0.84 KMT2A (0.80) SMN1; SMN2KMT2ALMNAHTTEPHX2
SCHEMBL26099719 0.82 USP2 (0.68) SMN1; SMN2KMT2ALMNAHTTMEN1
Hydrochloric Acid SCHEMBL11372047 0.81 F2 (0.57) SMN1; SMN2KMT2ALMNAMEN1KDM4E
SCHEMBL306283 0.81 SETD7 (0.67) SMN1; SMN2KMT2ALMNAHTTEPHX2
SCHEMBL12698773 0.80 POLB (0.60) SMN1; SMN2KMT2AMEN1KDM4ENPC1
SCHEMBL7243154 0.78 LMNA (0.69) SMN1; SMN2KMT2ALMNAHTTEPHX2
SCHEMBL15876305 0.78 KMT2A (0.58) SMN1; SMN2KMT2ALMNAHTTEPHX2
SCHEMBL307235 0.77 ROCK2 (0.63) SMN1; SMN2KMT2ALMNAHTTEPHX2
SCHEMBL7246711 0.76 KMT2A (0.61) KMT2AMEN1

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 8 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 claimed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US claimed
EP-2114869-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP claimed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 WO claimed
EP-2114869-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 EP 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 SMN1; SMN2 2901/4885KMT2A 2067/4885LMNA 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.