SCHEMBL4258469

SCHEMBL4258469

COc1cc2ccccc2cc1C(=O)NCCOc1ccc(C(=S)NO)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 10/20 0.52
BRD4 O60885 1/20 0.52
MEN1 O00255 7/20 0.52
NPC1 O15118 7/20 0.51
RAB9A P51151 4/20 0.51
AHR P35869 1/20 0.51
RECQL P46063 1/20 0.49
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
POLB P06746 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSP90AA1 P07900 1/20 0.47

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
SCHEMBL445396 0.90 KMT2A (0.57) ALDH1A1GAAKMT2ABRD4MEN1
SCHEMBL4248684 0.84 KMT2A (0.63) ALDH1A1GAAKMT2ABRD4MEN1
SCHEMBL4252464 0.82 LMNA (0.53) ALDH1A1GAAKMT2ABRD4MEN1
SCHEMBL4253112 0.82 MMP3 (0.47) ALDH1A1GAAKMT2ABRD4MEN1
SCHEMBL4255588 0.82 TP53 (0.58) GAAKMT2ABRD4MEN1NPC1
SCHEMBL4252430 0.82 NPC1 (0.53) KMT2AMEN1NPC1RAB9ARECQL
SCHEMBL4252170 0.81 HDAC8 (0.52) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL4250302 0.81 NPC1 (0.56) ALDH1A1GAAKMT2AMEN1NPC1
SCHEMBL4254739 0.80 BRD4 (0.49) ALDH1A1GAAKMT2ABRD4NPC1
SCHEMBL4248226 0.80 HDAC1 (0.59) ALDH1A1KMT2AMEN1NPC1RAB9A

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 601/4885GAA 247/4885KMT2A 94/4885

“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.