SCHEMBL12055674

SCHEMBL12055674

O=[N+]([O-])c1ccc2c(c1)sc1c3ccc([N+](=O)[O-])cc3sc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
ALDH1A1 P00352 5/20 0.49
TSHR P16473 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
CYP3A4 P08684 1/20 0.49
HTT P42858 1/20 0.49
PDK1 Q15118 1/20 0.47
MAPT P10636 5/20 0.47
HPGD P15428 4/20 0.47
USP2 O75604 1/20 0.47
PHOSPHO1 Q8TCT1 1/20 0.46
LMNA P02545 1/20 0.45
DAO P14920 1/20 0.44
EGFR P00533 1/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 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
SCHEMBL17037126 0.96 CRHBP (0.47) CRHBPCRHR2ALDH1A1TSHRSMN1; SMN2
SCHEMBL17037091 0.91 MAPT (0.49) CRHBPCRHR2ALDH1A1TSHRSMN1; SMN2
SCHEMBL13649835 0.91 ALDH1A1 (0.50) CRHBPCRHR2ALDH1A1TSHRSMN1; SMN2
SCHEMBL17037090 0.90 SMN1; SMN2 (0.49) CRHBPCRHR2ALDH1A1TSHRSMN1; SMN2
SCHEMBL749155 0.88 CRHBP (0.53) CRHBPCRHR2ALDH1A1TSHRSMN1; SMN2
SCHEMBL17037095 0.86 TTR (0.43) CRHBPCRHR2ALDH1A1TSHRSMN1; SMN2
SCHEMBL17037109 0.86 PGR (0.47) ALDH1A1SMN1; SMN2HTTMAPTHPGD
SCHEMBL17040252 0.86 SNCA (0.50) CRHBPCRHR2ALDH1A1TSHRSMN1; SMN2
SCHEMBL17037092 0.82 MAPT (0.49) CRHBPCRHR2ALDH1A1SMN1; SMN2TDP1
SCHEMBL16857506 0.80 EGFR (0.50) ALDH1A1TSHRSMN1; SMN2HTTMAPT

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10193070-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2019-01-29 US disclosed
US-20170229654-A1 ELECTROACTIVE MATERIALS LG CHEM, LTD. (KR) 2017-08-10 US disclosed
US-20170229654-A1 ELECTROACTIVE MATERIALS LG CHEM, LTD. (KR) 2017-08-10 US disclosed
US-20170040550-A1 MATERIAL FOR PHOTOELECTRIC CONVERSION ELEMENT FOR USE IN IMAGING ELEMENT, AND PHOTOELECTRIC CONVERSION ELEMENT INCLUDING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2017-02-09 US disclosed
EP-2265619-B1 [1]BENZOTHIENO[3,2-B][1]BENZOTHIOPHENE COMPOUND AND METHOD FOR PRODUCING THE SAME, AND ORGANIC ELECTRONIC DEVICE USING THE SAME RICOH CO LTD (JP) 2016-06-22 EP disclosed
US-8723163-B2 Organic photoelectric converter SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-05-13 US disclosed
US-8723163-B2 Organic photoelectric converter SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-05-13 US disclosed
US-8440713-B2 [1]benzothieno[3,2-B][1]benzothiophene compound and method for producing the same, and organic electronic device using the same RICOH COMPANY, LTD. (JP) 2013-05-14 US disclosed
US-8440713-B2 [1]benzothieno[3,2-B][1]benzothiophene compound and method for producing the same, and organic electronic device using the same RICOH COMPANY, LTD. (JP) 2013-05-14 US disclosed
US-8084624-B2 Condensed polycyclic aromatic compound and use thereof NATIONAL UNIVERSITY OF CORPORATION HIROSHIMA UNIVERSITY (JP) 2011-12-27 US disclosed
US-20110040107-A1 [1]BENZOTHIENO[3,2-B][1]BENZOTHIOPHENE COMPOUND AND METHOD FOR PRODUCING THE SAME, AND ORGANIC ELECTRONIC DEVICE USING THE SAME RICOH COMPANY, LTD. (JP) 2011-02-17 US disclosed
US-20110024731-A1 NOVEL CONDENSED POLYCYCLIC AROMATIC COMPOUND AND USE THEREOF NATIONAL UNIVERSITY OF CORP. HIROSHIMA UNIVERSITY (JP) 2011-02-03 US disclosed
US-20110024731-A1 NOVEL CONDENSED POLYCYCLIC AROMATIC COMPOUND AND USE THEREOF NATIONAL UNIVERSITY OF CORP. HIROSHIMA UNIVERSITY (JP) 2011-02-03 US disclosed
US-20110017300-A1 ORGANIC PHOTOELECTRIC CONVERTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-27 US disclosed
US-20110017300-A1 ORGANIC PHOTOELECTRIC CONVERTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-27 US disclosed
US-7834198-B2 Condensed polycyclic aromatic compound and use thereof NATIONAL UNIVERSITY OF CORPORATION HIROSHIMA UNIVERSITY (JP) 2010-11-16 US disclosed
US-7834198-B2 Condensed polycyclic aromatic compound and use thereof NATIONAL UNIVERSITY OF CORPORATION HIROSHIMA UNIVERSITY (JP) 2010-11-16 US disclosed
US-20090001357-A1 Novel Condensed Polycyclic Aromatic Compound and Use Thereof NATIONAL UNIVERSITY OF CORP. HIROSHIMA UNIVERSITY (JP) 2009-01-01 US disclosed
US-20090001357-A1 Novel Condensed Polycyclic Aromatic Compound and Use Thereof NATIONAL UNIVERSITY OF CORP. HIROSHIMA UNIVERSITY (JP) 2009-01-01 US disclosed
EP-1847544-A1 NOVEL CONDENSED POLYCYCLIC AROMATIC COMPOUND AND USE THEREOF National University of Corporation Hiroshima University (JP) 2007-10-24 EP 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 (6 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-20170040550-A1 MATERIAL FOR PHOTOELECTRIC CONVERSION ELEMENT FOR USE IN IMAGING ELEMENT, AND PHOTOELECTRIC CONVERSION ELEMENT INCLUDING SAME SLC19A1, SLC19A2, TNPO1 CRHBP 4544/4885CRHR2 4497/4885ALDH1A1 1101/4885
US-20110024731-A1 NOVEL CONDENSED POLYCYCLIC AROMATIC COMPOUND AND USE THEREOF HCN4, HCN2, CTCF CRHBP 3747/4885CRHR2 1754/4885ALDH1A1 4045/4885
US-10193070-B2 Electroactive materials EPX, INA, KCNN2 CRHBP 3305/4885CRHR2 2097/4885ALDH1A1 476/4885
US-20170229654-A1 ELECTROACTIVE MATERIALS EPX, INA, KCNN2 CRHBP 3305/4885CRHR2 2097/4885ALDH1A1 476/4885
US-20090001357-A1 Novel Condensed Polycyclic Aromatic Compound and Use Thereof HCN4, HCN2, CTCF CRHBP 3747/4885CRHR2 1754/4885ALDH1A1 4045/4885
US-20110040107-A1 [1]BENZOTHIENO[3,2-B][1]BENZOTHIOPHENE COMPOUND AND METHOD FOR PRODUCING THE SAME, AND ORGANIC ELECTRONIC DEVICE USING THE SAME KYAT1, SULT1E1, SULT1A1 CRHBP 3802/4885CRHR2 4283/4885ALDH1A1 98/4885

“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.