SCHEMBL2407616

SCHEMBL2407616

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.53
HDAC1 Q13547 6/20 0.53
HDAC8 Q9BY41 5/20 0.53
NR1H4 Q96RI1 1/20 0.51
GPR139 Q6DWJ6 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC2 Q92769 1/20 0.43
ALOX5 P09917 1/20 0.43
HTT P42858 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
SCHEMBL2409904 0.84 HDAC6 (0.51) HDAC6HDAC1HDAC8HDAC2
SCHEMBL2407559 0.83 HDAC6 (0.54) HDAC6HDAC1HDAC8NR1H4GPR139
SCHEMBL2408948 0.83 GPR139 (0.49) HDAC6HDAC8GPR139MEN1KMT2A
SCHEMBL2406404 0.82 HDAC8 (0.55) HDAC6HDAC1HDAC8GPR139ALDH1A1
SCHEMBL2413541 0.81 HDAC6 (0.56) HDAC6HDAC1HDAC8NR1H4KMT2A
SCHEMBL2406654 0.81 HDAC6 (0.56) HDAC6HDAC1HDAC8NR1H4KMT2A
SCHEMBL12279701 0.81 HDAC6 (0.56) HDAC6HDAC1HDAC8NR1H4KMT2A
SCHEMBL13021174 0.81 MEN1 (0.68) GPR139MEN1KMT2AALDH1A1HTT
SCHEMBL2410420 0.80 NR1H4 (0.78) HDAC6HDAC1HDAC8NR1H4KMT2A
Hydrochloric Acid SCHEMBL27556014 0.80 MEN1 (0.66) GPR139MEN1KMT2AALDH1A1HTT

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