SCHEMBL2406464

SCHEMBL2406464

CC(C)C(NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(C(=O)NO)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.58
HDAC6 Q9UBN7 10/20 0.52
CYP17A1 P05093 2/20 0.50
HDAC8 Q9BY41 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
P2RX7 Q99572 1/20 0.44
HDAC3 O15379 1/20 0.44

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
SCHEMBL2406394 1.00 HDAC1 (0.58) HDAC1HDAC6CYP17A1HDAC8MEN1
SCHEMBL2406661 1.00 HDAC1 (0.58) HDAC1HDAC6CYP17A1HDAC8MEN1
SCHEMBL6919896 0.89 HDAC1 (0.51) HDAC1HDAC6CYP17A1HDAC8HDAC3
SCHEMBL2407972 0.87 CYP17A1 (0.66) HDAC1HDAC6CYP17A1HDAC8MEN1
SCHEMBL2406664 0.87 CYP17A1 (0.66) HDAC1HDAC6CYP17A1HDAC8MEN1
SCHEMBL2408112 0.84 MEN1 (0.51) HDAC1HDAC6CYP17A1HDAC8MEN1
SCHEMBL2408894 0.83 HDAC1 (0.55) HDAC1HDAC6HDAC8
SCHEMBL2408904 0.81 HPGD (0.50) CYP17A1MEN1KMT2A
SCHEMBL12280596 0.81 HDAC6 (0.51) HDAC1HDAC6CYP17A1HDAC8MEN1
SCHEMBL2406634 0.80 HDAC6 (0.48) HDAC1HDAC6CYP17A1MEN1KMT2A

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 12 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
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 3/4885HDAC6 1/4885CYP17A1 772/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 HDAC1 3/4885HDAC6 1/4885CYP17A1 772/4885

“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.