SCHEMBL2407090

SCHEMBL2407090

COc1ccc(C(=O)NC(C)c2cccc(C(=O)NO)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
ROCK1 Q13464 11/20 0.59
ROCK2 O75116 9/20 0.59
PRKG1 Q13976 5/20 0.59
CYP3A4 P08684 5/20 0.59
CYP2C9 P11712 4/20 0.59
PRKACA P17612 4/20 0.59
CYP2D6 P10635 3/20 0.59
RPS6KB1 P23443 3/20 0.59
MAPK1 P28482 3/20 0.59
GSK3A P49840 3/20 0.59
GSK3B P49841 3/20 0.59
PRKX P51817 3/20 0.59
PRKCD Q05655 3/20 0.59
PKN2 Q16513 3/20 0.59
CLK4 Q9HAZ1 3/20 0.59
SGK2 Q9HBY8 3/20 0.59
RPS6KA5 O75582 2/20 0.59
PRKCG P05129 2/20 0.59

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
SCHEMBL2408586 1.00 CA1 (0.59) CA1CA2ROCK1ROCK2PRKG1
SCHEMBL2412518 0.87 GPR139 (0.65) ROCK1ROCK2PRKG1CYP3A4CYP2C9
SCHEMBL12279565 0.86 CA1 (0.70) CA1CA2CYP3A4CYP2C9TAS1R3
SCHEMBL3023784 0.86 ROCK1 (0.64) ROCK1ROCK2PRKG1CYP3A4CYP2C9
SCHEMBL3032715 0.86 ROCK1 (0.64) ROCK1ROCK2PRKG1CYP3A4CYP2C9
SCHEMBL12279819 0.85 ALDH1A1 (0.57) CA2ROCK1ROCK2PRKG1CYP3A4
SCHEMBL12280060 0.83 NR1H4 (0.59) CA2ROCK1ROCK2MAPK1ALDH1A1
SCHEMBL2412896 0.83 ALDH1A1 (0.61) ROCK1ROCK2PRKG1CYP3A4CYP2C9
SCHEMBL2409529 0.83 ALDH1A1 (0.61) ROCK1ROCK2PRKG1CYP3A4CYP2C9
SCHEMBL2406385 0.83 ALDH1A1 (0.61) ROCK1ROCK2PRKG1CYP3A4CYP2C9

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
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US claimed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US 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-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 CA1 310/4885CA2 308/4885ROCK1 210/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 CA1 310/4885CA2 308/4885ROCK1 210/4885

“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.