SCHEMBL306283

SCHEMBL306283

COc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.67
ALDH1A1 P00352 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
KMT2A Q03164 8/20 0.62
LMNA P02545 3/20 0.62
HTT P42858 2/20 0.62
MEN1 O00255 7/20 0.62
MAPT P10636 3/20 0.60
MAPK1 P28482 2/20 0.60
POLB P06746 1/20 0.59
BLM P54132 1/20 0.59
ALOX5 P09917 1/20 0.58
EPHX2 P34913 1/20 0.57
STAT3 P40763 1/20 0.57
ACHE P22303 1/20 0.56
GAA P10253 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL7872336 0.82 KMT2A (0.80) ALDH1A1SMN1; SMN2KMT2ALMNAHTT
SCHEMBL306284 0.81 SMN1; SMN2 (0.66) ALDH1A1SMN1; SMN2KMT2ALMNAHTT
SCHEMBL10160140 0.81 ALDH1A1 (0.86) ALDH1A1SMN1; SMN2KMT2ALMNAHTT
SCHEMBL3613697 0.81 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2KMT2ALMNAHTT
SCHEMBL1028387 0.80 ALDH1A1 (0.80) ALDH1A1SMN1; SMN2KMT2ALMNAHTT
SCHEMBL1028389 0.80 ALDH1A1 (0.80) ALDH1A1SMN1; SMN2KMT2ALMNAHTT
SCHEMBL6754266 0.79 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2KMT2ALMNAHTT
SCHEMBL13623020 0.79 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2KMT2ALMNAHTT
SCHEMBL13623019 0.78 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2KMT2ALMNAHTT
Hydrochloric Acid SCHEMBL1026974 0.78 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2KMT2ALMNAHTT

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 9 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
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 SETD7 1428/4885ALDH1A1 3661/4885SMN1; SMN2 2901/4885

“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.