SCHEMBL4247091

SCHEMBL4247091

O=C(NCCOc1ccc(C(=S)NO)cc1)c1ccc(F)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
POLB P06746 2/20 0.46
NPC1 O15118 7/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 4/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HDAC3 O15379 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC4 P56524 2/20 0.43

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
SCHEMBL444204 0.90 MEN1 (0.54) MEN1KMT2APOLBNPC1SMN1; SMN2
SCHEMBL4252170 0.84 HDAC8 (0.52) MEN1KMT2APOLBNPC1SMN1; SMN2
SCHEMBL4253856 0.82 MEN1 (0.50) MEN1KMT2APOLBNPC1SMN1; SMN2
SCHEMBL4253855 0.82 HDAC6 (0.47) MEN1KMT2APOLBNPC1SMN1; SMN2
SCHEMBL4247491 0.81 NPC1 (0.51) MEN1KMT2APOLBNPC1SMN1; SMN2
SCHEMBL4257390 0.80 NPC1 (0.71) MEN1KMT2APOLBNPC1SMN1; SMN2
SCHEMBL4251688 0.80 MAPT (0.58) MEN1KMT2APOLBNPC1SMN1; SMN2
SCHEMBL4252464 0.79 LMNA (0.53) MEN1KMT2APOLBNPC1SMN1; SMN2
SCHEMBL4253166 0.79 ALDH1A1 (0.55) MEN1KMT2APOLBNPC1SMN1; SMN2
SCHEMBL4250389 0.77 RAB9A (0.56) MEN1KMT2APOLBNPC1SMN1; 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 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 MEN1 4531/4885KMT2A 94/4885POLB 553/4885

“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.