SCHEMBL4254171

SCHEMBL4254171

O=C(NCCOc1ccc(C(=S)NO)cc1)c1ccc(-n2cccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.52
▸ RAB9A P51151 7/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ HPGD P15428 1/20 0.51
▸ POLB P06746 3/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ AOC2 O75106 1/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47
▸ HDAC5 Q9UQL6 1/20 0.47

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
SCHEMBL443002 0.90 NPC1 (0.57) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL4257390 0.85 NPC1 (0.71) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL4249441 0.83 KMT2A (0.49) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL4254124 0.80 MAPT (0.58) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL4257451 0.80 NPC1 (0.70) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL4253993 0.79 NPC1 (0.47) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL4251104 0.79 NPC1 (0.61) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL4252430 0.79 NPC1 (0.53) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL4257493 0.77 ALDH1A1 (0.60) NPC1RAB9ASMN1; SMN2HPGDLMNA
SCHEMBL4250976 0.76 NPC1 (0.54) NPC1RAB9ASMN1; SMN2HPGDPOLB

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.

Send feedback