SCHEMBL308007

SCHEMBL308007

CC(C)(C)OC(=O)NCCc1csc(N)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.44
GABRB2 P47870 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NQO2 P16083 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
BCHE P06276 1/20 0.39

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
SCHEMBL27646811 0.90 NOS1 (0.49) NQO2MAPTTDP1CA1CA2
SCHEMBL31569512 0.85 SMN1; SMN2 (0.56) HTTNPSR1NQO2ALDH1A1GFER
SCHEMBL6757758 0.84 GABRA5 (0.40) GABRA5GABRB2HSD17B10HTTALDH1A1
SCHEMBL30191663 0.80 HSD17B10 (0.51) GABRA5GABRB2HSD17B10HTTNPSR1
SCHEMBL17261560 0.79 HSD17B10 (0.60) HSD17B10ALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL28231753 0.77 HTT (0.44) HTTNPSR1NQO2ALDH1A1GFER
SCHEMBL16765682 0.76 NQO2 (0.50) HTTNPSR1NQO2ALDH1A1GFER
SCHEMBL10991421 0.76 GABRA5 (0.58) GABRA5GABRB2HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL6503635 0.75 PI4KB (0.47) HTTALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL16271067 0.75 HDAC1 (0.47) SMN1; SMN2

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 10 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-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 GABRA5 3423/4885GABRB2 3862/4885HSD17B10 3731/4885

“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.