SCHEMBL4252991

SCHEMBL4252991

O=C(NCCOc1ccc(C(=S)NO)cc1)c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.56
MEN1 O00255 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL447095 0.89 KMT2A (0.62) KMT2AMEN1SMN1; SMN2HDAC3HDAC4
SCHEMBL4250976 0.84 NPC1 (0.54) KMT2AMEN1SMN1; SMN2HDAC3HDAC4
SCHEMBL4250397 0.84 MAPT (0.47) KMT2AMEN1SMN1; SMN2HDAC3HDAC4
SCHEMBL4247486 0.84 CHRNB2 (0.47) KMT2AMEN1SMN1; SMN2HDAC3HDAC4
SCHEMBL4257390 0.84 NPC1 (0.71) KMT2AMEN1SMN1; SMN2HDAC3HDAC4
SCHEMBL4247509 0.83 MAPT (0.48) KMT2AMEN1SMN1; SMN2HDAC3HDAC4
SCHEMBL4251239 0.82 POLB (0.49) KMT2AMEN1SMN1; SMN2HDAC3HDAC4
SCHEMBL4253304 0.82 MAPT (0.71) KMT2AMEN1SMN1; SMN2HDAC3HDAC4
SCHEMBL4250281 0.82 NPC1 (0.53) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4250389 0.81 RAB9A (0.56) KMT2AMEN1SMN1; SMN2HDAC3HDAC4

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 4531/4885SMN1; SMN2 3469/4885

“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.