SCHEMBL225495

SCHEMBL225495

CCOC(=O)c1c(/N=C/c2cccs2)sc(/N=C/c2ccc([N+](=O)[O-])s2)c1C(=O)OCC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.66
MAPT P10636 15/20 0.53
SMN1; SMN2 Q16637 8/20 0.53
HTT P42858 7/20 0.53
ALDH1A1 P00352 11/20 0.49
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
LMNA P02545 6/20 0.49
HPGD P15428 2/20 0.49
PABPC1 P11940 1/20 0.49
KDM4E B2RXH2 4/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
POLB P06746 4/20 0.45
HSP90AA1 P07900 3/20 0.45
RECQL P46063 2/20 0.43
GAA P10253 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
RAB9A P51151 2/20 0.43
MITF O75030 2/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL225496 1.00 PTPN1 (0.66) PTPN1MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL225037 0.92 MAPT (0.61) PTPN1MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL12204878 0.88 PTPN1 (0.79) PTPN1MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL14340737 0.88 MAPT (0.56) PTPN1MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL222958 0.87 PTPN1 (0.84) PTPN1MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL222957 0.87 PTPN1 (0.84) PTPN1MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL14340739 0.85 PTPN1 (0.74) PTPN1MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL30354494 0.85 HPGD (0.54) PTPN1MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL223084 0.85 PTPN1 (0.69) PTPN1MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL223085 0.85 PTPN1 (0.69) 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 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 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.