SCHEMBL4255646

SCHEMBL4255646

COc1cccc2oc(C(=O)NCC#Cc3ccc(C(=S)NO)cc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HDAC8 Q9BY41 2/20 0.37
NAMPT P43490 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 1/20 0.37
ABCG2 Q9UNQ0 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL4813624 0.91 HTT (0.45) HTTMMP2MMP13L3MBTL1HDAC8
SCHEMBL4250108 0.87 PDPK1 (0.39) HTTHDAC8HDAC1HDAC2ABCG2
SCHEMBL4252233 0.83 HPGD (0.49) HTTL3MBTL1KDM4EALDH1A1TP53
SCHEMBL4250748 0.82 SMN1; SMN2 (0.49) L3MBTL1ALDH1A1TP53HPGDTSHR
SCHEMBL4254266 0.79 HDAC3 (0.54) HTTKDM4EMAPTHDAC8HDAC1
SCHEMBL5497826 0.78 HDAC6 (0.42) HTTHDAC8HDAC1HDAC2ABCG2
Hydrochloric Acid SCHEMBL4815991 0.78 HDAC6 (0.43) HTTHDAC8HDAC1HDAC2ABCG2
SCHEMBL5584446 0.76 HTT (0.54) HTTMMP2MMP13L3MBTL1KDM4E
SCHEMBL4255512 0.76 HDAC3 (0.50) MMP2MMP13HDAC8HDAC1HDAC2
SCHEMBL4247166 0.75 HDAC3 (0.44) ALDH1A1HPGDTSHRHDAC8HDAC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-01-22 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 (1 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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC8, HDAC3 HTT 197/4885MMP2 872/4885MMP13 1693/4885

“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.