SCHEMBL4257484

SCHEMBL4257484

O=C(NCCOc1ccc(C(=S)NO)cc1)c1cncc(-c2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.61
RAB9A P51151 5/20 0.61
LMNA P02545 3/20 0.52
HTT P42858 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.49
HDAC1 Q13547 2/20 0.48
KDM1A O60341 1/20 0.48
KAT6A Q92794 1/20 0.47
POLB P06746 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
RECQL P46063 1/20 0.46
MAPK1 P28482 1/20 0.46
HDAC3 O15379 1/20 0.45

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
SCHEMBL443547 0.90 NPC1 (0.65) NPC1RAB9ALMNAHTTCYP1A2
SCHEMBL4250312 0.87 LMNA (0.50) NPC1RAB9ALMNAHTTCYP1A2
SCHEMBL4247997 0.86 NPC1 (0.49) NPC1RAB9ALMNAHTTCYP1A2
SCHEMBL4250481 0.85 NPC1 (0.73) NPC1RAB9ALMNAHTTCYP1A2
SCHEMBL4252173 0.84 MAPT (0.51) NPC1RAB9ALMNACYP3A4CYP2C9
SCHEMBL4257390 0.83 NPC1 (0.71) NPC1RAB9ASMN1; SMN2HPGDHDAC1
SCHEMBL4257493 0.81 ALDH1A1 (0.60) NPC1RAB9ALMNACYP1A2CYP3A4
SCHEMBL4248905 0.80 NPC1 (0.51) NPC1RAB9ALMNAHTTCYP1A2
SCHEMBL4252430 0.79 NPC1 (0.53) NPC1RAB9ASMN1; SMN2HPGDHDAC1
SCHEMBL445927 0.78 HDAC1 (0.58) NPC1RAB9ALMNAHTTCYP1A2

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.