SCHEMBL4254095

SCHEMBL4254095

CN(C)CCOc1cc(C(=O)NCCOc2ccc(C(=S)NO)cc2)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 2/20 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
HDAC7 Q8WUI4 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
NCOR2 Q9Y618 1/20 0.43
P2RY12 Q9H244 2/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42

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
SCHEMBL443671 0.92 HDAC6 (0.51) MAPTL3MBTL1NPC1SMN1; SMN2RAB9A
SCHEMBL4258468 0.90 MAPT (0.46) MAPTL3MBTL1NPC1SMN1; SMN2RAB9A
SCHEMBL4254741 0.89 MAPT (0.44) MAPTL3MBTL1NPC1SMN1; SMN2RAB9A
SCHEMBL4254739 0.88 BRD4 (0.49) MAPTL3MBTL1NPC1RAB9AP2RY12
SCHEMBL4252149 0.86 P2RY12 (0.41) P2RY12DRD2DRD3HRH3HTT
SCHEMBL4258464 0.84 MAPT (0.49) MAPTL3MBTL1NPC1SMN1; SMN2RAB9A
SCHEMBL443046 0.82 MAPT (0.48) MAPTL3MBTL1NPC1SMN1; SMN2RAB9A
SCHEMBL445820 0.81 MAPT (0.46) MAPTL3MBTL1NPC1SMN1; SMN2RAB9A
SCHEMBL444210 0.80 KMT2A (0.52) MAPTL3MBTL1NPC1SMN1; SMN2RAB9A
SCHEMBL4253304 0.79 MAPT (0.71) MAPTL3MBTL1NPC1SMN1; SMN2RAB9A

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 1527/4885NPC1 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.