SCHEMBL4254741

SCHEMBL4254741

O=C(NCCOc1ccc(C(=S)NO)cc1)c1cc(OCCC(F)(F)F)c2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPHX2 P34913 1/20 0.41
P2RY12 Q9H244 2/20 0.41
NPC1 O15118 7/20 0.41
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.39
HDAC3 O15379 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39

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
SCHEMBL445820 0.93 MAPT (0.46) MAPTL3MBTL1EPHX2P2RY12NPC1
SCHEMBL4258468 0.89 MAPT (0.46) MAPTL3MBTL1P2RY12NPC1RAB9A
SCHEMBL4254095 0.89 MAPT (0.46) MAPTL3MBTL1P2RY12NPC1RAB9A
SCHEMBL447748 0.88 HDAC6 (0.42) MAPTL3MBTL1EPHX2P2RY12HDAC3
SCHEMBL4254739 0.87 BRD4 (0.49) MAPTL3MBTL1P2RY12NPC1RAB9A
SCHEMBL4247839 0.86 P2RY12 (0.40) EPHX2P2RY12SCN9AADAM17
SCHEMBL4258464 0.84 MAPT (0.49) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL4255470 0.83 P2RY12 (0.39) MAPTEPHX2P2RY12HDAC3HDAC1
SCHEMBL14918273 0.82 HDAC4 (0.50) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL443046 0.81 MAPT (0.48) MAPTL3MBTL1P2RY12NPC1RAB9A

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 MAPT 2673/4885L3MBTL1 1527/4885EPHX2 1606/4885

“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.