SCHEMBL307434

SCHEMBL307434

COc1ccc(NC(=O)Cc2cccc(NC(=O)c3ccc(CN(C)C)o3)c2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
HTT P42858 4/20 0.60
KMT2A Q03164 4/20 0.60
MAPT P10636 7/20 0.58
BCHE P06276 3/20 0.57
ACHE P22303 3/20 0.57
HSD17B10 Q99714 7/20 0.54
MEN1 O00255 3/20 0.54
STAT3 P40763 2/20 0.53
ALDH1A1 P00352 5/20 0.52
NPSR1 Q6W5P4 4/20 0.52
TSHR P16473 3/20 0.52
MAPK1 P28482 3/20 0.52
HPGD P15428 4/20 0.50
TP53 P04637 2/20 0.50
XBP1 P17861 1/20 0.50
HTR1E P28566 1/20 0.50
NTSR1 P30989 1/20 0.50
STAT1 P42224 1/20 0.50

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
SCHEMBL15876317 0.86 SMN1; SMN2 (0.54) LMNASMN1; SMN2HTTKMT2AMAPT
SCHEMBL307235 0.85 ROCK2 (0.63) LMNASMN1; SMN2HTTKMT2AMAPT
SCHEMBL306883 0.83 ROCK2 (0.69) LMNAMAPTALDH1A1NPSR1MAPK1
SCHEMBL7872336 0.74 KMT2A (0.80) LMNASMN1; SMN2HTTKMT2AMAPT
SCHEMBL306284 0.73 SMN1; SMN2 (0.66) LMNASMN1; SMN2HTTKMT2AMAPT
SCHEMBL3613697 0.72 SMN1; SMN2 (0.65) LMNASMN1; SMN2HTTKMT2AMAPT
SCHEMBL3653095 0.71 EPHX2 (0.77) LMNASMN1; SMN2HTTKMT2AMAPT
SCHEMBL15876295 0.71 ROCK2 (0.60) LMNAALDH1A1NPSR1ROCK2USP2
SCHEMBL25083138 0.71 SMN1; SMN2 (0.62) LMNASMN1; SMN2HTTKMT2AMAPT
SCHEMBL7243154 0.71 LMNA (0.69) LMNASMN1; SMN2HTTKMT2AMAPT

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
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US claimed
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
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 LMNA 2642/4885SMN1; SMN2 2901/4885HTT 3609/4885

“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.