SCHEMBL4252241

SCHEMBL4252241

O=C(NCC#Cc1ccc(C(=S)NO)cc1)Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOST Q9BQB4 1/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
PTPN11 Q06124 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
EPHX1 P07099 4/20 0.40
HTT P42858 2/20 0.40

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
SCHEMBL4257479 0.88 CNR1 (0.45) HDAC1HDAC6PTPN11NPC1RAB9A
SCHEMBL4820153 0.87 HDAC1 (0.55) SOSTHDAC2HDAC1HDAC8HDAC6
SCHEMBL4250771 0.85 MEN1 (0.49) HDAC8HDAC6PTPN11HDAC3MEN1
SCHEMBL4250951 0.83 SOST (0.54) SOSTHDAC2HDAC1HDAC8HDAC6
SCHEMBL4253913 0.78 NAMPT (0.43) HDAC2HDAC1HDAC6HDAC3HDAC11
SCHEMBL4251402 0.78 KMT2A (0.47) HDAC2HDAC1HDAC8HDAC6HDAC3
SCHEMBL4815818 0.75 HDAC1 (0.48) SOSTHDAC2HDAC1HDAC8HDAC6
SCHEMBL4253919 0.74 MMP13 (0.41) HDAC2HDAC1HDAC8HDAC6HDAC3
SCHEMBL31680548 0.73 SOST (0.55) SOSTHDAC2HDAC8HDAC6NPC1
SCHEMBL4818754 0.73 MEN1 (0.52) HDAC2HDAC1HDAC8HDAC6HDAC3

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 SOST 4673/4885HDAC2 4/4885HDAC1 1/4885

“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.