SCHEMBL17538751

SCHEMBL17538751

COc1cccc(C2CCCN2C(=O)c2ccc(Br)c(C3OCCO3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 15/20 0.55
SCD5 Q86SK9 2/20 0.47
PARP14 Q460N5 1/20 0.44
PARP10 Q53GL7 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL17513404 0.84 ROCK2 (0.70) ROCK2
SCHEMBL17513475 0.82 ROCK2 (0.78) ROCK2
SCHEMBL8542566 0.79 ROCK2 (0.62) ROCK2SCD5PARP14PARP10HSD17B10
SCHEMBL28168304 0.75 ROCK2 (0.56) ROCK2SCD5HSD17B10
SCHEMBL17513444 0.75 ROCK2 (0.70) ROCK2
SCHEMBL17538754 0.75 ROCK2 (0.74) ROCK2
SCHEMBL17513411 0.74 ROCK2 (0.64) ROCK2
SCHEMBL17538753 0.74 ROCK2 (0.74) ROCK2
SCHEMBL17513391 0.73 ROCK2 (0.63) ROCK2
SCHEMBL17513508 0.71 ROCK2 (1.00) ROCK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3183248-B1 TIED-BACK BENZAMIDE DERIVATIVES AS POTENT ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-11 EP disclosed
US-20170226105-A1 TIED-BACK BENZAMIDE DERIVATIVES AS POTENT ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-10 US disclosed
US-20170226105-A1 TIED-BACK BENZAMIDE DERIVATIVES AS POTENT ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-10 US disclosed
WO-2016028971-A1 TIED-BACK BENZAMIDE DERIVATIVES AS POTENT ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-02-25 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-20170226105-A1 TIED-BACK BENZAMIDE DERIVATIVES AS POTENT ROCK INHIBITORS MYLK, ROCK1, MYLK2 ROCK2 4/4885SCD5 1688/4885PARP14 1577/4885

“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.