SCHEMBL4254739

SCHEMBL4254739

COc1cc(C(=O)NCCOc2ccc(C(=S)NO)cc2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
KMT2A Q03164 1/20 0.49
ALOX15 P16050 1/20 0.48
P2RY12 Q9H244 7/20 0.48
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 4/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
HSP90AA1 P07900 1/20 0.43
HPGD P15428 1/20 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
SCHEMBL4258468 0.93 MAPT (0.46) BRD4KMT2AP2RY12MAPTL3MBTL1
SCHEMBL444210 0.91 KMT2A (0.52) BRD4KMT2AALOX15P2RY12MAPT
SCHEMBL4254095 0.88 MAPT (0.46) P2RY12MAPTL3MBTL1NPC1RAB9A
SCHEMBL4258464 0.87 MAPT (0.49) KMT2AMAPTL3MBTL1NPC1RECQL
SCHEMBL4254741 0.87 MAPT (0.44) BRD4KMT2AP2RY12MAPTL3MBTL1
SCHEMBL445440 0.86 ALOX15 (0.49) BRD4KMT2AALOX15P2RY12
SCHEMBL443046 0.84 MAPT (0.48) BRD4KMT2AP2RY12MAPTL3MBTL1
SCHEMBL4255700 0.83 P2RY12 (0.47) ALOX15P2RY12
SCHEMBL4251739 0.83 ALOX15 (0.48) ALOX15P2RY12MAPT
SCHEMBL4251195 0.82 P2RY12 (0.49) ALOX15P2RY12

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 BRD4 47/4885KMT2A 94/4885ALOX15 3039/4885

“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.