SCHEMBL4251402

SCHEMBL4251402

O=C(C=Cc1ccccc1)NCC#Cc1ccc(C(=S)NO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MMP1 P03956 2/20 0.46
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
HTT P42858 1/20 0.46
HDAC3 O15379 5/20 0.46
HDAC1 Q13547 5/20 0.46
HDAC2 Q92769 5/20 0.46
HDAC4 P56524 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
RAB9A P51151 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC7 Q8WUI4 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
EGFR P00533 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
SCHEMBL4821166 0.88 HDAC1 (0.56) KMT2AMMP1MMP2MMP9HDAC3
SCHEMBL4821158 0.88 HDAC1 (0.56) KMT2AMMP1MMP2MMP9HDAC3
SCHEMBL4250346 0.81 EGFR (0.51) KMT2AMMP1MMP2MMP9HTT
SCHEMBL4250951 0.81 SOST (0.54) HDAC1HDAC2HDAC8HDAC6SMN1; SMN2
SCHEMBL4248228 0.81 NPC1 (0.41) KMT2AHTTHDAC3HDAC1HDAC2
SCHEMBL4250962 0.79 TDP1 (0.48) KMT2AHTTHDAC3HDAC1HDAC2
SCHEMBL4252241 0.78 SOST (0.42) KMT2AHTTHDAC3HDAC1HDAC2
SCHEMBL4253893 0.76 SMN1; SMN2 (0.74) KMT2AMMP1MMP2MMP9HTT
SCHEMBL4817975 0.76 KMT2A (0.53) KMT2AMMP1MMP2MMP9HDAC3
SCHEMBL5970411 0.76 HDAC1 (0.56) KMT2AMMP1MMP2MMP9HDAC3

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 KMT2A 94/4885MMP1 1287/4885MMP2 872/4885

“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.