SCHEMBL4250481

SCHEMBL4250481

O=C(NCCOc1ccc(C(=S)NO)cc1)c1cncc(Br)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.73
RAB9A P51151 2/20 0.73
LMNA P02545 2/20 0.67
CYP1A2 P05177 2/20 0.67
CYP3A4 P08684 2/20 0.67
CYP2C19 P33261 2/20 0.67
CYP2C9 P11712 1/20 0.67
HTT P42858 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.63
ALDH1A1 P00352 2/20 0.63
MAPT P10636 1/20 0.59
NPSR1 Q6W5P4 1/20 0.53
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.47
PRKAB2 O43741 1/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA2 P54646 1/20 0.46
PRKAA1 Q13131 1/20 0.46
PRKAG3 Q9UGI9 1/20 0.46

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
SCHEMBL447556 0.90 NPC1 (0.78) NPC1RAB9ALMNACYP1A2CYP3A4
SCHEMBL4257484 0.85 NPC1 (0.61) NPC1RAB9ALMNACYP1A2CYP3A4
SCHEMBL4257493 0.83 ALDH1A1 (0.60) NPC1RAB9ALMNACYP1A2CYP3A4
SCHEMBL4247997 0.81 NPC1 (0.49) NPC1RAB9ALMNACYP1A2CYP3A4
SCHEMBL4250312 0.81 LMNA (0.50) NPC1RAB9ALMNACYP1A2CYP3A4
SCHEMBL4257390 0.79 NPC1 (0.71) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL4248905 0.79 NPC1 (0.51) NPC1RAB9ALMNACYP1A2CYP3A4
SCHEMBL4247491 0.78 NPC1 (0.51) NPC1RAB9ACYP1A2CYP2C19CYP2C9
SCHEMBL4250755 0.78 NPC1 (0.69) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL4252430 0.78 NPC1 (0.53) NPC1RAB9ASMN1; SMN2POLBKMT2A

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 3763/4885LMNA 2081/4885

“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.