SCHEMBL1174267

SCHEMBL1174267

Cn1nc(C(C)(C)C)cc1C(=O)N1CCc2cc(C(=O)NO)sc2C1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.63
KDM4E B2RXH2 1/20 0.42
GRN P28799 1/20 0.42
SORT1 Q99523 1/20 0.42
EPHX2 P34913 1/20 0.42
HDAC8 Q9BY41 2/20 0.40
NAMPT P43490 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
LMNA P02545 2/20 0.38
GALR3 O60755 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NAA50 Q9GZZ1 3/20 0.37

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
SCHEMBL1175588 0.84 HDAC6 (0.62) HDAC6HDAC8NAMPTHDAC3HDAC1
SCHEMBL1175141 0.80 HDAC6 (0.62) HDAC6HDAC8NAMPTHDAC3HDAC1
SCHEMBL1173968 0.78 HDAC6 (1.00) HDAC6HDAC8NAMPTHDAC3HDAC1
SCHEMBL1174246 0.77 HDAC6 (1.00) HDAC6HDAC8ALDH1A1
SCHEMBL1173867 0.77 HDAC6 (0.66) HDAC6HDAC8HDAC3HDAC1ALDH1A1
SCHEMBL1173866 0.76 HDAC6 (0.62) HDAC6KDM4EHDAC8NAMPTHDAC3
SCHEMBL1175153 0.76 HDAC6 (0.67) HDAC6HDAC8HDAC1HTTALDH1A1
SCHEMBL1175219 0.74 HDAC6 (0.61) HDAC6HDAC8HDAC3TSHR
SCHEMBL12868546 0.73 HDAC6 (0.60) HDAC6KDM4ENAMPTLMNAHTT
SCHEMBL1173758 0.73 HDAC6 (0.62) HDAC6HDAC8LMNATSHRHTT

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-8624040-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-07 US claimed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-8624040-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 WO 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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HDAC6 1/4885KDM4E 903/4885GRN 1269/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885KDM4E 903/4885GRN 1269/4885

“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.