SCHEMBL1174014

SCHEMBL1174014

COc1cccc(CNC(=O)N2CCc3sc(C(=O)NO)cc3C2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.52
RYR2 Q92736 1/20 0.51
NAMPT P43490 3/20 0.50
MMP13 P45452 1/20 0.48
MAPT P10636 2/20 0.48
PKM P14618 2/20 0.48
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
HDAC1 Q13547 1/20 0.45

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
SCHEMBL1174312 0.93 HDAC6 (0.52) HDAC6RYR2NAMPTMMP13MAPT
SCHEMBL1174282 0.89 HDAC6 (0.54) HDAC6RYR2MAPTPRMT5WDR77
SCHEMBL12868683 0.82 PTPN1 (0.53) HDAC6MMP13PRMT5WDR77HDAC1
SCHEMBL1175115 0.82 HDAC6 (0.54) HDAC6RYR2MAPTPKMPRMT5
SCHEMBL7797683 0.80 KMT2A (0.60) HDAC6MAPTLMNAPRMT5WDR77
SCHEMBL5464008 0.75 PKM (0.66) NAMPTMMP13PKMHPGDNPC1
SCHEMBL1173842 0.74 HDAC6 (0.57) HDAC6MAPTPRMT5WDR77NPC1
SCHEMBL7797668 0.72 KMT2A (0.60) HDAC6MAPTPKMLMNAPRMT5
SCHEMBL12883422 0.71 HDAC6 (0.60) HDAC6MAPTHPGDPRMT5WDR77
SCHEMBL2808052 0.71 PKM (0.47) RYR2NAMPTPKM

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 1/4885RYR2 4722/4885NAMPT 1262/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885RYR2 4722/4885NAMPT 1262/4885

“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.