SCHEMBL4257451

SCHEMBL4257451

CC(C)(C)c1ccc(C(=O)NCCOc2ccc(C(=S)NO)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.70
RAB9A P51151 4/20 0.70
POLB P06746 1/20 0.70
CASP3 P42574 1/20 0.70
SENP7 Q9BQF6 1/20 0.70
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
MAPT P10636 4/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
HTT P42858 1/20 0.53
XBP1 P17861 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
EPHX2 P34913 2/20 0.52
NR1H4 Q96RI1 2/20 0.52
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HDAC3 O15379 1/20 0.49
HDAC4 P56524 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
SCHEMBL447184 0.90 NPC1 (0.78) NPC1RAB9APOLBCASP3SENP7
SCHEMBL4257390 0.86 NPC1 (0.71) NPC1RAB9APOLBCASP3SENP7
SCHEMBL10494994 0.84 NPC1 (0.82) NPC1RAB9APOLBCASP3SENP7
SCHEMBL10495080 0.83 NPC1 (0.76) NPC1RAB9APOLBCASP3SENP7
SCHEMBL4250755 0.81 NPC1 (0.69) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL10495029 0.80 NPC1 (0.70) NPC1RAB9APOLBCASP3SENP7
SCHEMBL4255588 0.80 TP53 (0.58) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL4254171 0.80 NPC1 (0.52) NPC1RAB9APOLBCASP3SENP7
SCHEMBL4251104 0.80 NPC1 (0.61) NPC1RAB9APOLBCASP3SENP7
SCHEMBL4247491 0.79 NPC1 (0.51) NPC1RAB9APOLBCASP3SENP7

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 NPC1 1960/4885RAB9A 3763/4885POLB 553/4885

“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.