SCHEMBL2406385

SCHEMBL2406385

C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1cccc(C(=O)NO)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
ROCK2 O75116 6/20 0.60
ROCK1 Q13464 5/20 0.60
PRKG1 Q13976 3/20 0.60
RPS6KA5 O75582 2/20 0.60
CDK1 P06493 2/20 0.60
PRKACA P17612 2/20 0.60
RPS6KB1 P23443 2/20 0.60
CDK2 P24941 2/20 0.60
MAPK1 P28482 2/20 0.60
GSK3A P49840 2/20 0.60
GSK3B P49841 2/20 0.60
PRKX P51817 2/20 0.60
PRKCD Q05655 2/20 0.60
PRKG2 Q13237 2/20 0.60
PKN2 Q16513 2/20 0.60
CDC42BPA Q5VT25 2/20 0.60
CLK4 Q9HAZ1 2/20 0.60
SGK2 Q9HBY8 2/20 0.60
MAP4K4 O95819 1/20 0.60

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
SCHEMBL2409529 1.00 ALDH1A1 (0.61) ALDH1A1ROCK2ROCK1PRKG1RPS6KA5
SCHEMBL2412896 1.00 ALDH1A1 (0.61) ALDH1A1ROCK2ROCK1PRKG1RPS6KA5
SCHEMBL2413088 0.88 ROCK2 (0.68) ALDH1A1ROCK2ROCK1PRKG1RPS6KA5
SCHEMBL6918948 0.87 HDAC1 (0.73) ALDH1A1ROCK2ROCK1PRKG1RPS6KA5
SCHEMBL12279819 0.86 ALDH1A1 (0.57) ALDH1A1ROCK2ROCK1PRKG1RPS6KA5
SCHEMBL12280060 0.84 NR1H4 (0.59) ALDH1A1ROCK2ROCK1MAPK1MEN1
SCHEMBL2407090 0.83 CA1 (0.59) ALDH1A1ROCK2ROCK1PRKG1RPS6KA5
SCHEMBL2408586 0.83 CA1 (0.59) ALDH1A1ROCK2ROCK1PRKG1RPS6KA5
SCHEMBL2409579 0.83 NPSR1 (0.56) ALDH1A1ROCK2ROCK1PRKG1RPS6KA5
SCHEMBL2407415 0.83 SMN1; SMN2 (0.77) ALDH1A1ROCK2ROCK1PRKG1RPS6KA5

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
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-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
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 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-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 ALDH1A1 1696/4885ROCK2 360/4885ROCK1 210/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 ALDH1A1 1696/4885ROCK2 360/4885ROCK1 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.