SCHEMBL4253188

SCHEMBL4253188

COc1ccc(C(=O)NCCOc2ccc(C(=S)NO)cc2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 8/20 0.51
BRD4 O60885 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 4/20 0.47
RECQL P46063 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
HSP90AA1 P07900 1/20 0.46
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 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
SCHEMBL447237 0.90 NPC1 (0.57) KMT2AMEN1NPC1BRD4L3MBTL1
SCHEMBL4255588 0.90 TP53 (0.58) KMT2AMEN1NPC1BRD4L3MBTL1
SCHEMBL4247491 0.88 NPC1 (0.51) KMT2AMEN1NPC1TP53RAB9A
SCHEMBL4250755 0.83 NPC1 (0.69) KMT2AMEN1NPC1BRD4L3MBTL1
SCHEMBL4258469 0.80 ALDH1A1 (0.53) KMT2AMEN1NPC1BRD4L3MBTL1
SCHEMBL445883 0.79 TP53 (0.62) KMT2AMEN1NPC1BRD4L3MBTL1
SCHEMBL4248684 0.79 KMT2A (0.63) KMT2AMEN1NPC1BRD4L3MBTL1
SCHEMBL4252430 0.78 NPC1 (0.53) KMT2AMEN1NPC1TP53RAB9A
SCHEMBL4253856 0.78 MEN1 (0.50) KMT2AMEN1NPC1L3MBTL1RAB9A
SCHEMBL4250302 0.78 NPC1 (0.56) KMT2AMEN1NPC1L3MBTL1TP53

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 94/4885MEN1 4531/4885NPC1 1960/4885

“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.