SCHEMBL2406113

SCHEMBL2406113

CC(C)C(NC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(=O)NO)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.50
HDAC8 Q9BY41 5/20 0.48
HDAC6 Q9UBN7 4/20 0.46
HDAC3 O15379 1/20 0.46
TACR1 P25103 1/20 0.46
CNR2 P34972 2/20 0.44
PDE2A O00408 5/20 0.44
GPR139 Q6DWJ6 3/20 0.42
MLYCD O95822 1/20 0.42
HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL2408319 0.90 HDAC6 (0.53) HDAC1HDAC8HDAC6HDAC3CNR2
SCHEMBL2408922 0.84 HDAC1 (0.63) HDAC1HDAC8HDAC6HDAC3TACR1
SCHEMBL12279753 0.83 HDAC1 (0.54) HDAC1HDAC8HDAC6CNR2
SCHEMBL2412525 0.79 GPR139 (0.54) HDAC8HDAC6TACR1GPR139HDAC11
SCHEMBL12279645 0.78 HDAC1 (0.57) HDAC1HDAC8HDAC6HDAC3PDE2A
SCHEMBL12280220 0.78 HDAC1 (0.54) HDAC1HDAC8HDAC6HDAC3CNR2
SCHEMBL2408370 0.76 HDAC1 (0.54) HDAC1HDAC8HDAC6PDE2A
SCHEMBL12279611 0.76 HDAC1 (0.54) HDAC1HDAC8HDAC6HDAC3PDE2A
SCHEMBL2407278 0.75 HDAC1 (0.53) HDAC1HDAC8HDAC6HDAC3
SCHEMBL12279859 0.73 GPR139 (0.51) HDAC8HDAC6TACR1GPR139

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 8 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
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 HDAC1 3/4885HDAC8 15/4885HDAC6 1/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 HDAC1 3/4885HDAC8 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.