SCHEMBL4251104

SCHEMBL4251104

O=C(NCCOc1ccc(C(=S)NO)cc1)c1ccc(NC(=O)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.61
RAB9A P51151 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
HPGD P15428 1/20 0.61
NAMPT P43490 2/20 0.55
KMT2A Q03164 3/20 0.53
POLB P06746 1/20 0.53
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
CHRNB2 P17787 2/20 0.52
CHRNB4 P30926 2/20 0.52
CHRNA3 P32297 2/20 0.52
CHRNA7 P36544 2/20 0.52
CHRNA4 P43681 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52

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
SCHEMBL4257390 0.93 NPC1 (0.71) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL442845 0.90 NPC1 (0.68) NPC1RAB9ASMN1; SMN2HPGDNAMPT
SCHEMBL443363 0.82 NPC1 (0.79) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL4252430 0.81 NPC1 (0.53) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL4250976 0.81 NPC1 (0.54) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL11433155 0.81 NPC1 (0.93) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL4257451 0.80 NPC1 (0.70) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL4257493 0.79 ALDH1A1 (0.60) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL4254171 0.79 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HPGDNAMPT
SCHEMBL10495055 0.78 NPC1 (0.82) NPC1RAB9ASMN1; SMN2HPGDKMT2A

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 3763/4885SMN1; 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.