SCHEMBL4255378

SCHEMBL4255378

O=C(NCCOc1ccc(C(=S)NO)cc1)c1cccc(OCCc2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 8/20 0.46
RAB9A P51151 7/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.43
GPR52 Q9Y2T5 1/20 0.41
CNR1 P21554 1/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41

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
SCHEMBL4251738 0.91 HDAC3 (0.45) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL444776 0.91 MEN1 (0.54) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL4252356 0.83 NPC1 (0.42) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL443302 0.82 HDAC1 (0.52) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL4251732 0.82 MAPT (0.41) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL4250397 0.81 MAPT (0.47) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL4247486 0.81 CHRNB2 (0.47) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL4252991 0.79 KMT2A (0.56) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL4254714 0.79 MAPT (0.45) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL4247288 0.79 SMN1; SMN2 (0.42) KMT2AMEN1NPC1MAPTSMN1; SMN2

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 4531/4885NPC1 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.