SCHEMBL306804

SCHEMBL306804

COc1ccc(NC(=O)CCc2cccc(N)c2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.65
NPC1 O15118 1/20 0.65
LMNA P02545 4/20 0.57
GAA P10253 1/20 0.55
PKM P14618 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
POLB P06746 2/20 0.53
NPSR1 Q6W5P4 1/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC2 Q92769 3/20 0.52
KMT2A Q03164 2/20 0.52
TSHR P16473 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL7841017 0.90 ALDH1A1 (0.55) RAB9ANPC1LMNAPKMSMN1; SMN2
SCHEMBL7839418 0.90 BACE1 (0.54) RAB9ANPC1LMNAGAASMN1; SMN2
SCHEMBL306284 0.88 SMN1; SMN2 (0.66) RAB9ANPC1LMNASMN1; SMN2NPSR1
SCHEMBL18760165 0.86 NPC1 (0.67) RAB9ANPC1LMNAGAAPKM
SCHEMBL307257 0.81 RAB9A (0.58) RAB9ANPC1LMNAGAAPKM
SCHEMBL4666943 0.81 LMNA (0.73) RAB9ANPC1LMNAGAASMN1; SMN2
SCHEMBL13501314 0.79 MAPT (0.71) RAB9ALMNAGAAHDAC1HDAC2
SCHEMBL7827432 0.79 PLAU (0.59) RAB9ANPC1LMNAGAASMN1; SMN2
SCHEMBL1074012 0.78 MAPT (0.68) RAB9ANPC1GAAPOLBHDAC1
SCHEMBL7828031 0.78 KMT2A (0.59) RAB9ALMNAGAASMN1; SMN2POLB

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 7 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-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
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.