SCHEMBL222432

SCHEMBL222432

CCOC(=O)c1c(N=Cc2ccc(N(CC)CC)s2)sc(N=Cc2ccc([N+](=O)[O-])s2)c1C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
HTT P42858 5/20 0.52
PTPN1 P18031 5/20 0.49
ALDH1A1 P00352 9/20 0.46
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
LMNA P02545 5/20 0.46
HPGD P15428 2/20 0.46
PABPC1 P11940 1/20 0.46
KDM4E B2RXH2 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
POLB P06746 4/20 0.44
HSP90AA1 P07900 3/20 0.44
GAA P10253 2/20 0.43
RECQL P46063 2/20 0.42
RAB9A P51151 2/20 0.42
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
MITF O75030 2/20 0.40

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
SCHEMBL222431 1.00 MAPT (0.52) MAPTSMN1; SMN2HTTPTPN1ALDH1A1
SCHEMBL225037 0.91 MAPT (0.61) MAPTSMN1; SMN2HTTPTPN1ALDH1A1
SCHEMBL223063 0.90 PTPN1 (0.53) MAPTHTTPTPN1ALDH1A1KMT2A
SCHEMBL14340737 0.87 MAPT (0.56) MAPTSMN1; SMN2HTTPTPN1ALDH1A1
SCHEMBL14340738 0.86 PTPN1 (0.49) MAPTHTTPTPN1ALDH1A1KMT2A
SCHEMBL223085 0.84 PTPN1 (0.69) MAPTSMN1; SMN2HTTPTPN1ALDH1A1
SCHEMBL223084 0.84 PTPN1 (0.69) MAPTSMN1; SMN2HTTPTPN1ALDH1A1
SCHEMBL225496 0.83 PTPN1 (0.66) MAPTSMN1; SMN2HTTPTPN1ALDH1A1
SCHEMBL225495 0.83 PTPN1 (0.66) MAPTSMN1; SMN2HTTPTPN1ALDH1A1
SCHEMBL225261 0.83 PTPN1 (0.65) MAPTSMN1; SMN2HTTPTPN1ALDH1A1

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 3 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

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 233/4885SMN1; SMN2 2548/4885HTT 212/4885

“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.