SCHEMBL226609

SCHEMBL226609

CCOC(=O)c1sc(N)c(C(=O)OCC)c1N

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.75
RAB9A P51151 4/20 0.75
NPC1 O15118 2/20 0.75
ALDH1A1 P00352 13/20 0.70
HPGD P15428 6/20 0.70
GAA P10253 5/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
KDM4E B2RXH2 3/20 0.69
ALOX15 P16050 2/20 0.66
MAPK1 P28482 2/20 0.66
HSD17B10 Q99714 2/20 0.66
FHIT P49789 1/20 0.64
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL10508272 0.87 ALDH1A1 (0.79) MAPTRAB9ANPC1ALDH1A1HPGD
SCHEMBL1143421 0.86 MAPT (1.00) MAPTRAB9ANPC1ALDH1A1HPGD
SCHEMBL19993956 0.83 MAPT (0.71) MAPTRAB9ANPC1ALDH1A1HPGD
SCHEMBL20420533 0.83 MAPT (0.71) MAPTRAB9ANPC1ALDH1A1HPGD
SCHEMBL223094 0.83 ALDH1A1 (1.00) MAPTRAB9ANPC1ALDH1A1HPGD
SCHEMBL12082955 0.81 KDM4E (1.00) MAPTRAB9ANPC1ALDH1A1HPGD
SCHEMBL8288567 0.80 MAPT (0.72) MAPTRAB9ANPC1ALDH1A1HPGD
SCHEMBL8198410 0.79 ALDH1A1 (1.00) MAPTRAB9ANPC1ALDH1A1HPGD
SCHEMBL1492040 0.79 ALDH1A1 (0.62) MAPTRAB9ANPC1ALDH1A1HPGD
SCHEMBL14975641 0.79 ALDH1A1 (1.00) MAPTRAB9ANPC1ALDH1A1HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004386-A1 CONJUGATED THIOPHENES HAVING CONDUCTING PROPERTIES AND SYNTHESIS OF SAME UNIVERSITE DE MONTREAL (CA) 2012-01-05 US disclosed
US-8034895-B2 Conjugated thiophenes having conducting properties and synthesis of same Université de Montréal (CA) 2011-10-11 US disclosed
US-20070287842-A1 Conjugated Thiophenes Having Conducting Properties and Synthesis of Same UNIVERSITE DE MONTREAL (CA) 2007-12-13 US disclosed
WO-2005073265-A1 CONJUGATED THIOPHENES HAVING CONDUCTING PROPERTIES AND SYNTHESIS OF SAME UNIVERSITE DE MONTREAL (CA) 2005-08-11 WO 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-20070287842-A1 Conjugated Thiophenes Having Conducting Properties and Synthesis of Same DDT, DDC, TRPA1 MAPT 233/4885RAB9A 2959/4885NPC1 3326/4885

“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.