SCHEMBL2409463

SCHEMBL2409463

CC(C)(C)c1ccc(C(=O)NC(c2ccc(C(=O)NO)cc2)C(C)(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.67
HDAC6 Q9UBN7 12/20 0.56
HDAC8 Q9BY41 11/20 0.56
HDAC3 O15379 7/20 0.56
HDAC11 Q96DB2 3/20 0.56
NR1H4 Q96RI1 2/20 0.55
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2407846 0.88 PDE2A (0.54) HDAC1HDAC6HDAC8HDAC3
SCHEMBL12279807 0.88 HDAC6 (0.61) HDAC1HDAC6HDAC8HDAC3HDAC11
SCHEMBL2413458 0.84 HDAC1 (0.56) HDAC1HDAC6HDAC8HDAC3HDAC11
SCHEMBL12280148 0.84 HDAC1 (0.56) HDAC1HDAC6HDAC8HDAC3HDAC11
SCHEMBL2408485 0.84 CA1 (0.64) HDAC1HDAC6HDAC8ALDH1A1SMN1; SMN2
SCHEMBL2406733 0.84 HDAC8 (0.58) HDAC1HDAC6HDAC8HDAC3
SCHEMBL2405287 0.84 HDAC1 (0.71) HDAC1HDAC6HDAC8HDAC3HDAC11
SCHEMBL2410420 0.83 NR1H4 (0.78) HDAC1HDAC6HDAC8HDAC3HDAC11
SCHEMBL12280557 0.83 HDAC6 (0.54) HDAC1HDAC6HDAC8HDAC3HDAC11
SCHEMBL2409455 0.83 HDAC1 (0.48) HDAC1HDAC6HDAC8HDAC3ALDH1A1

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 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-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

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 3/4885HDAC6 1/4885HDAC8 15/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 HDAC1 3/4885HDAC6 1/4885HDAC8 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.