SCHEMBL2408437

SCHEMBL2408437

C[C@H](NC(=O)C(C)(C)C)c1ccc(C(=O)NO)cn1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.49
HDAC6 Q9UBN7 14/20 0.49
HDAC3 O15379 9/20 0.43
HDAC2 Q92769 9/20 0.43
B3GNT2 Q9NY97 3/20 0.41
HDAC8 Q9BY41 1/20 0.39
CACNA1I Q9P0X4 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
SCHEMBL2408366 0.85 HDAC1 (0.48) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL12940584 0.81 B3GNT2 (0.47) B3GNT2CACNA1I
SCHEMBL2406654 0.78 HDAC6 (0.56) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL12279701 0.78 HDAC6 (0.56) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL2413541 0.78 HDAC6 (0.56) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL2407580 0.77 HDAC6 (0.46) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL2412945 0.77 ROCK2 (0.52) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL12940581 0.75 LGMN (0.41) HDAC1HDAC6B3GNT2CACNA1I
SCHEMBL12280591 0.75 HDAC6 (0.50) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL2411912 0.74 CYP17A1 (0.53) HDAC1HDAC6HDAC3HDAC2HDAC8

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 6 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

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 1/4885HDAC3 5/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 HDAC1 3/4885HDAC6 1/4885HDAC3 5/4885

“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.