SCHEMBL1174282

SCHEMBL1174282

COc1ccc(CNC(=O)N2CCc3sc(C(=O)NO)cc3C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.54
HDAC1 Q13547 1/20 0.52
RYR2 Q92736 2/20 0.51
PRMT5 O14744 1/20 0.50
WDR77 Q9BQA1 1/20 0.50
MAPK1 P28482 1/20 0.49
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 2/20 0.45
GFER P55789 1/20 0.45
KDM1A O60341 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL1175115 0.92 HDAC6 (0.54) HDAC6HDAC1RYR2PRMT5WDR77
SCHEMBL1174014 0.89 HDAC6 (0.52) HDAC6HDAC1RYR2PRMT5WDR77
SCHEMBL7797683 0.87 KMT2A (0.60) HDAC6HDAC1PRMT5WDR77MAPK1
SCHEMBL1174312 0.82 HDAC6 (0.52) HDAC6HDAC1RYR2POLBMAPT
SCHEMBL1173842 0.81 HDAC6 (0.57) HDAC6PRMT5WDR77MAPTSMN1; SMN2
SCHEMBL7797668 0.78 KMT2A (0.60) HDAC6HDAC1PRMT5WDR77MAPK1
SCHEMBL1174296 0.75 HDAC6 (0.59) HDAC6HDAC1SMN1; SMN2KMT2AMEN1
SCHEMBL12883422 0.73 HDAC6 (0.60) HDAC6PRMT5WDR77MAPTSMN1; SMN2
SCHEMBL12868683 0.73 PTPN1 (0.53) HDAC6HDAC1PRMT5WDR77KMT2A
SCHEMBL12486704 0.72 PRMT5 (0.49) HDAC6PRMT5WDR77MAPTSMN1; SMN2

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 1/4885HDAC1 3/4885RYR2 4722/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885HDAC1 3/4885RYR2 4722/4885

“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.