SCHEMBL307148

SCHEMBL307148

COC(=O)c1cccc(CN(C)C(=O)c2ccc(OC)c(OC)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 2/20 0.53
ACHE P22303 2/20 0.51
HSD17B2 P37059 2/20 0.51
RAB9A P51151 2/20 0.51
NR2F2 P24468 1/20 0.51
ROCK2 O75116 3/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
RECQL P46063 1/20 0.50
BCHE P06276 1/20 0.50
CYP3A4 P08684 1/20 0.50
ROCK1 Q13464 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B1 P14061 1/20 0.49

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
SCHEMBL307913 0.89 HTT (0.62) HTTMEN1KMT2AACHEHSD17B2
SCHEMBL307992 0.86 ACHE (0.54) HTTKMT2AMAPTACHERAB9A
SCHEMBL13229122 0.82 KMT2A (0.80) HTTMEN1KMT2AHSD17B2RAB9A
SCHEMBL4835879 0.79 LOXL2 (0.60) MEN1KMT2AMAPTRAB9ALOXL2
SCHEMBL9416623 0.78 HTT (0.61) HTTMEN1KMT2AACHERAB9A
SCHEMBL9416662 0.78 HTT (0.61) HTTMEN1KMT2AACHERAB9A
SCHEMBL305141 0.78 ROCK2 (0.78) RAB9AROCK2CYP3A4ROCK1ALDH1A1
SCHEMBL14198788 0.77 HSP90AA1 (0.56) HTTMEN1KMT2AACHEHSD17B2
SCHEMBL165622 0.77 LOXL2 (0.66) MEN1KMT2AMAPTRAB9ALOXL2
Veratric Acid Methyl Ester SCHEMBL29573244 0.77 MAPT (0.86) MEN1KMT2AMAPTRAB9APOLB

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 11 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-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 HTT 3609/4885MEN1 1736/4885KMT2A 2067/4885

“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.