SCHEMBL6918948

SCHEMBL6918948

CC(C)C(NC(=O)c1ccc(-c2ccccc2)cc1)c1cccc(C(=O)NO)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.73
PARP1 P09874 1/20 0.55
HDAC8 Q9BY41 6/20 0.55
ALDH1A1 P00352 4/20 0.54
HPGDS O60760 1/20 0.52
PPARG P37231 1/20 0.52
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ROCK2 O75116 2/20 0.48
RPS6KA5 O75582 1/20 0.48
MAP4K4 O95819 1/20 0.48
CDK1 P06493 1/20 0.48
CSF1R P07333 1/20 0.48
PRKACA P17612 1/20 0.48
FLT1 P17948 1/20 0.48
RPS6KB1 P23443 1/20 0.48
CDK2 P24941 1/20 0.48

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
SCHEMBL2407097 0.88 HDAC1 (0.83) HDAC1PARP1HDAC8ALDH1A1HPGDS
SCHEMBL2407996 0.88 HDAC1 (0.83) HDAC1PARP1HDAC8ALDH1A1HPGDS
SCHEMBL2406385 0.87 ALDH1A1 (0.61) HDAC1PARP1HDAC8ALDH1A1HPGDS
SCHEMBL2412896 0.87 ALDH1A1 (0.61) HDAC1PARP1HDAC8ALDH1A1HPGDS
SCHEMBL2409529 0.87 ALDH1A1 (0.61) HDAC1PARP1HDAC8ALDH1A1HPGDS
SCHEMBL2408190 0.84 HDAC1 (0.91) HDAC1HDAC8ALDH1A1HDAC6HDAC3
SCHEMBL6919012 0.81 HDAC1 (0.59) HDAC1PARP1HDAC8HPGDSCYP1A2
SCHEMBL12280609 0.78 HDAC1 (0.61) HDAC1PARP1HDAC8ALDH1A1HPGDS
SCHEMBL2413088 0.77 ROCK2 (0.68) HDAC1HDAC8ALDH1A1HPGDSCYP1A2
SCHEMBL2412513 0.76 HDAC1 (0.68) HDAC1HDAC8ALDH1A1MEN1KMT2A

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 10 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
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
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 HDAC1 3/4885PARP1 646/4885HDAC8 15/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 HDAC1 3/4885PARP1 646/4885HDAC8 15/4885

“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.