SCHEMBL4253166

SCHEMBL4253166

Cn1cc(C(=O)NCCOc2ccc(C(=S)NO)cc2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC2 Q92769 1/20 0.55
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 1/20 0.50
LMNA P02545 2/20 0.49
PTPN7 P35236 2/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NR4A2 P43354 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
HDAC3 O15379 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
SCHEMBL442523 0.92 ALDH1A1 (0.57) ALDH1A1HDAC1HDAC2KMT2AMEN1
SCHEMBL4252170 0.81 HDAC8 (0.52) ALDH1A1HDAC1HDAC2KMT2AMEN1
SCHEMBL23940245 0.79 ALDH1A1 (0.83) ALDH1A1HDAC1HDAC2KMT2ALMNA
SCHEMBL4247091 0.79 MEN1 (0.51) ALDH1A1HDAC1HDAC2KMT2AMEN1
SCHEMBL4251255 0.78 HDAC1 (0.54) ALDH1A1HDAC1HDAC2KMT2AMEN1
SCHEMBL4257390 0.78 NPC1 (0.71) HDAC1HDAC2KMT2AMEN1POLB
SCHEMBL4251688 0.78 MAPT (0.58) HDAC1HDAC2KMT2AMEN1POLB
SCHEMBL4253855 0.78 HDAC6 (0.47) ALDH1A1HDAC1HDAC2KMT2AMEN1
SCHEMBL4252464 0.78 LMNA (0.53) ALDH1A1HDAC1HDAC2KMT2AMEN1
SCHEMBL4253914 0.77 NPC1 (0.59) ALDH1A1KMT2AMEN1POLBLMNA

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 ALDH1A1 601/4885HDAC1 1/4885HDAC2 4/4885

“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.