SCHEMBL6153643

SCHEMBL6153643

O=C(O)/C=C/c1ccc(/C=N/NC(=S)Nc2cccc(SCc3ccccc3-c3ccccc3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
GAA P10253 6/20 0.43
RRM1 P23921 3/20 0.43
RRM2 P31350 3/20 0.43
RRM2B Q7LG56 3/20 0.43
MAPK1 P28482 1/20 0.43
STAT3 P40763 1/20 0.43
STAT1 P42224 1/20 0.43
XDH P47989 1/20 0.43
TP53 P04637 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
MAPT P10636 4/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL6154720 0.75 IDO1 (0.44) NPC1RAB9ASMN1; SMN2GAAMAPK1
SCHEMBL6154206 0.74 HDAC6 (0.40) NPC1RAB9ASMN1; SMN2MAPK1MAPT
SCHEMBL6154208 0.74 HDAC6 (0.40) NPC1RAB9ASMN1; SMN2MAPK1MAPT
Ammonia Solution, Strong SCHEMBL6155214 0.73 HDAC6 (0.40) NPC1RAB9ASMN1; SMN2MAPK1MAPT
Cinnamic Acid SCHEMBL29454354 0.60 HDAC2 (0.76) NPC1RAB9ASMN1; SMN2MAPK1HDAC8
SCHEMBL4955280 0.60 DPP4 (0.44) KMT2AALDH1A1MAOAMAOB
SCHEMBL6153697 0.60 CA12 (0.41) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL6154721 0.60 IDO1 (0.46) NPC1RAB9ASMN1; SMN2GAAMAPK1
SCHEMBL21882813 0.60 HCAR2 (0.50) NPC1RAB9ASMN1; SMN2GAAMAPK1
SCHEMBL4959824 0.60 MIF (0.41) NPC1RAB9ASMN1; SMN2MAPTKMT2A

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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP NPC1 4548/4885RAB9A 3814/4885SMN1; SMN2 2211/4885

“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.