SCHEMBL2438985

SCHEMBL2438985

Cc1cc(C)c(C(=O)NC(C)c2cccc(C(=O)NO)c2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
GPR139 Q6DWJ6 1/20 0.43
CA2 P00918 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
ROCK2 O75116 5/20 0.40
ROCK1 Q13464 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
RPS6KA5 O75582 1/20 0.39
PRKACA P17612 1/20 0.39
RPS6KB1 P23443 1/20 0.39
CDK2 P24941 1/20 0.39
MAPK1 P28482 1/20 0.39
AKT1 P31749 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
SCHEMBL6919150 0.83 ALDH1A1 (0.48) ALDH1A1HDAC8HDAC6GPR139CA2
SCHEMBL12279819 0.78 ALDH1A1 (0.57) ALDH1A1HDAC8HDAC6GPR139CA2
SCHEMBL2409381 0.78 HDAC8 (0.45) ALDH1A1HDAC8HDAC6GPR139HDAC3
SCHEMBL6918740 0.77 ALDH1A1 (0.47) ALDH1A1HDAC8HDAC6CA2ROCK2
SCHEMBL6919642 0.75 ALDH1A1 (0.50) ALDH1A1HDAC8HDAC6CA2HDAC3
SCHEMBL2410752 0.74 HDAC6 (0.56) ALDH1A1HDAC8HDAC6GPR139CA2
SCHEMBL2407349 0.74 ALDH1A1 (0.52) ALDH1A1HDAC8HDAC6GPR139CA2
SCHEMBL6919429 0.74 ALDH1A1 (0.42) ALDH1A1HDAC6HDAC3HDAC1ROCK2
SCHEMBL2410958 0.74 ALDH1A1 (0.51) ALDH1A1HDAC8HDAC6GPR139CA2
SCHEMBL6919822 0.74 ALDH1A1 (0.46) ALDH1A1HDAC8HDAC6ROCK2ROCK1

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
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

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 1696/4885HDAC8 15/4885HDAC6 1/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 ALDH1A1 1696/4885HDAC8 15/4885HDAC6 1/4885

“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.