SCHEMBL872076

SCHEMBL872076

O=[N+]([O-])c1ccsc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.46
TDP1 Q9NUW8 5/20 0.39
GPR35 Q9HC97 1/20 0.38
HSD17B10 Q99714 1/20 0.37
ESR2 Q92731 1/20 0.37
ALDH1A1 P00352 5/20 0.36
POLB P06746 4/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK1 P28482 1/20 0.34
ALOX15 P16050 1/20 0.34

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
Nitrogen SCHEMBL28031276 0.96 PDE7A (0.44) PDE7ATDP1GPR35HSD17B10ESR2
SCHEMBL11826120 0.78 PDE7A (0.43) PDE7ATDP1GPR35HSD17B10ESR2
SCHEMBL11559302 0.74
SCHEMBL4648229 0.74
SCHEMBL10933026 0.74
SCHEMBL826846 0.74
SCHEMBL10683668 0.74
SCHEMBL8159398 0.74
SCHEMBL5841002 0.74
SCHEMBL9375139 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260057-B Improved method for preparing functionalized cis-trans dicyanoethylene compound through desulfurization of 2, 5-dinitrothiophene 中国科学院大学 2023-07-25 CN claimed
CN-110183602-A A kind of halogen amino thiophene-based antibacterial chain extender and the preparation method and application thereof 华南理工大学 2019-08-30 CN claimed
CN-110003276-A A kind of double phosphine oxidization deriving species electroluminescent organic materials of thienopyrazine and the preparation method and application thereof 中节能万润股份有限公司 2019-07-12 CN claimed
CN-109796480-A A kind of synthetic method of boron azepine aphthothiophenes class heteroaryl hydrocarbons and their derivates 天津理工大学 2019-05-24 CN claimed
US-20130317070-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS University of Virginia Patent Foundation d/b/a University of Virginia Licensing & Ventures Group (US) 2013-11-28 US claimed
CN-102618084-B Heterocyclic ring blue disperse dye and synthesizing method and application thereof UNIV CENTRAL SOUTH FORESTRY 2013-11-27 CN claimed
EP-2632460-A2 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS University Of Virginia Patent Foundation (US) 2013-09-04 EP claimed
CN-101528856-B Disperse azo dyes DYSTAR TEXTILFARBEN GMBH & CO 2013-07-03 CN claimed
CN-102782210-A Disperse azo dyes COLOURTEX IND LTD 2012-11-14 CN claimed
CN-102618084-A Heterocyclic ring blue disperse dye and synthesizing method and application thereof UNIV CENTRAL SOUTH FORESTRY 2012-08-01 CN claimed
WO-2012040170-A2 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-03-29 WO claimed
US-7897735-B2 Compound having thiol anchoring group, method of synthesizing the same, and molecular electronic device having molecular active layer formed using the compound ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2011-03-01 US claimed
US-7880165-B2 Molecular electronic device including electrode having conductive polymer electrode layer ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2011-02-01 US claimed
CN-101830910-A Thienopyrazine derivatives and preparation method thereof UNIV DALIAN TECH 2010-09-15 CN claimed
CN-100540554-C Novel compounds capable of being used in organic layers of organic light emitting devices LG CHEMICAL LTD (KR) 2009-09-16 CN claimed
CN-101528856-A Disperse azo dyes DYSTAR TEXTILFARBEN GMBH & CO (DE) 2009-09-09 CN claimed
US-7538199-B2 Compound having thiol anchoring group, method of synthesizing the same, and molecular electronic device having molecular active layer formed using the compound ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2009-05-26 US claimed
US-20070176629-A1 Molecular electronic device having organic conducting electrode as protective layer ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE 2007-08-02 US claimed
US-20070073058-A1 Compound having thiol anchoring group, method of synthesizing the same, and molecular electronic device having molecular active layer formed using the compound ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE 2007-03-29 US claimed
CN-1863890-A Novel compounds capable of being used in organic layers of organic light emitting devices LG CHEMICAL LTD (KR) 2006-11-15 CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20070073058-A1 Compound having thiol anchoring group, method of synthesizing the same, and molecular electronic device having molecular active layer formed using the compound TST, ICMT, DNTT PDE7A 1262/4885TDP1 3154/4885GPR35 1889/4885
US-20130317070-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS NRDC, TST, TBCD PDE7A 911/4885TDP1 2886/4885GPR35 3472/4885

“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.