SCHEMBL4938673

SCHEMBL4938673

CNC(=O)c1ccccc1N(C)C(=O)Oc1ccccc1C(=O)Nc1ncc(S)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.47
ALDH1A1 P00352 8/20 0.47
RAB9A P51151 8/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 3/20 0.47
PKM P14618 3/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MLNR O43193 1/20 0.47
NR1I2 O75469 1/20 0.47
ABCB11 O95342 1/20 0.47
TP53 P04637 1/20 0.47
ADRB2 P07550 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRB1 P08588 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
MAPT P10636 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
SCHEMBL4757740 0.85 KMT2A (0.45) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL10169728 0.78 RAB9A (0.61) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL10131745 0.78 NPC1 (0.53) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL10132047 0.76 KMT2A (0.51) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL10131508 0.76 ALDH1A1 (0.51) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL10131756 0.75 KAT2B (0.37) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL4938035 0.74 ALDH1A1 (0.48) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL4939291 0.72 ALDH1A1 (0.47) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL10132051 0.71 ALDH1A1 (0.45) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL13075975 0.70 NPC1 (0.69) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA

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-20120122939-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES, L.C. 2012-05-17 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-20120122939-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS HAVCR2, EIF2AK2, AADAC NPC1 585/4885ALDH1A1 1605/4885RAB9A 1694/4885

“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.