SCHEMBL223084

SCHEMBL223084

CCOC(=O)c1c(N)sc(/N=C/c2ccc([N+](=O)[O-])s2)c1C(=O)OCC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.69
MAPT P10636 13/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
HTT P42858 4/20 0.55
ALDH1A1 P00352 9/20 0.49
KMT2A Q03164 6/20 0.49
LMNA P02545 5/20 0.49
MEN1 O00255 5/20 0.49
HPGD P15428 3/20 0.49
PABPC1 P11940 1/20 0.49
KDM4E B2RXH2 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
POLB P06746 4/20 0.47
HSP90AA1 P07900 3/20 0.47
RECQL P46063 2/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 3/20 0.46
MAPK1 P28482 1/20 0.45
FHIT P49789 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL223085 1.00 PTPN1 (0.69) PTPN1MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL225037 0.92 MAPT (0.61) PTPN1MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL14340737 0.88 MAPT (0.56) PTPN1MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL225495 0.85 PTPN1 (0.66) PTPN1MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL225496 0.85 PTPN1 (0.66) PTPN1MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL222431 0.84 MAPT (0.52) PTPN1MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL222432 0.84 MAPT (0.52) PTPN1MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL30354486 0.82 MAPT (0.54) PTPN1MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL30354485 0.82 MAPT (0.54) PTPN1MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL30354480 0.81 MAPT (0.52) PTPN1MAPTSMN1; SMN2HTTALDH1A1

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 5 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
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 PTPN1 945/4885MAPT 233/4885SMN1; SMN2 2548/4885

“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.