SCHEMBL2446141

SCHEMBL2446141

CC(C)(C)OC(=O)NCc1ccc(C(=O)O)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.46
NR1H4 Q96RI1 3/20 0.45
HDAC10 Q969S8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM4A O75164 1/20 0.42
MAPT P10636 1/20 0.42
HDAC1 Q13547 1/20 0.42
NAMPT P43490 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KCNA5 P22460 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
BRD4 O60885 1/20 0.39
RIPK1 Q13546 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
IDO1 P14902 1/20 0.37

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
SCHEMBL6950153 0.89 HDAC10 (0.43) HDAC10HDAC6KDM4AHDAC1NAMPT
SCHEMBL2441663 0.88 NOTUM (0.48) HDAC10HDAC6KDM4AMAPTHDAC1
SCHEMBL15862351 0.87 EPHX2 (0.51) EPHX2NR1H4HDAC10HDAC6KDM4A
SCHEMBL2441139 0.87 NQO2 (0.48) EPHX2MAPTALDH1A1HPGDBRD4
SCHEMBL1495979 0.85 EPHX2 (0.64) EPHX2NR1H4HDAC10HDAC6KDM4A
SCHEMBL6389333 0.84 EPHX2 (0.46) EPHX2NR1H4HDAC10HDAC6KDM4A
SCHEMBL17059395 0.84 NR1H4 (0.48) EPHX2NR1H4HDAC10HDAC6KDM4A
SCHEMBL1346036 0.84 EPHX2 (0.64) EPHX2NR1H4HDAC10HDAC6KDM4A
SCHEMBL7403265 0.84 EPHX2 (0.49) EPHX2NR1H4HDAC10HDAC6KDM4A
SCHEMBL1495902 0.84 EPHX2 (0.64) EPHX2NR1H4HDAC10HDAC6KDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912209-B2 Rock inhibitors AMAKEM NV (BE) 2014-12-16 US disclosed
US-8815873-B2 Heterocyclic amides as rock inhibitors AMAKEM NV (BE) 2014-08-26 US disclosed
US-8815873-B2 Heterocyclic amides as rock inhibitors AMAKEM NV (BE) 2014-08-26 US disclosed
US-8815873-B2 Heterocyclic amides as rock inhibitors AMAKEM NV (BE) 2014-08-26 US disclosed
US-20130252975-A1 NOVEL ROCK INHIBITORS AMAKEM NV (BE) 2013-09-26 US disclosed
EP-2626348-A1 Heterocyclic amides as rock inhibitors Amakem NV (BE) 2013-08-14 EP disclosed
EP-2542528-B1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS AMAKEM NV (BE) 2013-06-19 EP disclosed
EP-2542528-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS Amakem NV (BE) 2013-01-09 EP disclosed
US-20120322801-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS AMAKEM NV (BE) 2012-12-20 US disclosed
US-20120322801-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS AMAKEM NV (BE) 2012-12-20 US disclosed
US-20120322801-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS AMAKEM NV (BE) 2012-12-20 US disclosed
WO-2011107608-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS AMAKEM NV (BE) 2011-09-09 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 (2 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-20120322801-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS ROCK1, ROCK2, CIT EPHX2 853/4885NR1H4 2376/4885HDAC10 754/4885
US-20130252975-A1 NOVEL ROCK INHIBITORS ROCK1, ROCK2, CIT EPHX2 1620/4885NR1H4 2830/4885HDAC10 1698/4885

“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.