SCHEMBL1174262

SCHEMBL1174262

COc1ccc(C(=O)N2CCc3sc(C(=O)NO)c(C)c3C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.52
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
PRMT5 O14744 2/20 0.47
WDR77 Q9BQA1 2/20 0.47
HPGD P15428 1/20 0.46
GRM5 P41594 2/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.43
DRD4 P21917 1/20 0.42
GPR183 P32249 2/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 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
SCHEMBL1175401 0.88 PRMT5 (0.48) HDAC6HDAC1PRMT5WDR77HPGD
SCHEMBL1174553 0.86 PRMT5 (0.47) HDAC6HDAC3HDAC1PRMT5WDR77
SCHEMBL1174139 0.86 HDAC6 (0.51) HDAC6HDAC3HDAC1PRMT5WDR77
SCHEMBL1173854 0.77 HDAC6 (0.64) HDAC6HDAC3HDAC1PRMT5WDR77
SCHEMBL1174092 0.77 L3MBTL1 (0.46) HDAC6PRMT5WDR77GRM5ALDH1A1
SCHEMBL1174052 0.76 HDAC6 (0.57) HDAC6HDAC1PRMT5WDR77MAPT
SCHEMBL7797678 0.75 GRM5 (0.49) HDAC6PRMT5WDR77GRM5ALDH1A1
SCHEMBL7796318 0.75 HDAC6 (0.56) HDAC6HDAC3HDAC1PRMT5WDR77
SCHEMBL1174116 0.74 HDAC1 (0.54) HDAC6HDAC1PRMT5WDR77HPGD
SCHEMBL1174108 0.74 HDAC6 (0.48) HDAC6HDAC3HDAC1PRMT5WDR77

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 9 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-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
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 1/4885HDAC3 4/4885HDAC1 3/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885HDAC3 4/4885HDAC1 3/4885

“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.