SCHEMBL217092

SCHEMBL217092

Nc1sc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
ALOX15 P16050 3/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.44
MITF O75030 1/20 0.44
TDP1 Q9NUW8 5/20 0.41
CYP3A4 P08684 4/20 0.41
TSHR P16473 3/20 0.41
POLB P06746 1/20 0.41
GAA P10253 3/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
RECQL P46063 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL11269447 0.78 MAPT (0.44) ALDH1A1ALOX15HPGDMAPTMEN1
SCHEMBL18357510 0.78 ALDH1A1 (0.44) ALDH1A1ALOX15HPGDMAPTMEN1
SCHEMBL12963014 0.78 ALDH1A1 (0.37) ALDH1A1ALOX15HPGDMAPTMEN1
SCHEMBL18357928 0.77 CYP3A4 (0.46) ALDH1A1ALOX15MAPTMEN1KMT2A
SCHEMBL11813443 0.77 ALDH1A1 (0.42) ALDH1A1ALOX15HPGDMAPTMEN1
SCHEMBL11436630 0.76 VCAM1 (0.42) ALDH1A1ALOX15HPGDMAPTMEN1
SCHEMBL11948736 0.74 PSMB8 (0.45) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL9626194 0.74 MAPT (0.44) ALDH1A1ALOX15HPGDMAPTMEN1
SCHEMBL4665919 0.74 MEN1 (0.44) ALDH1A1ALOX15HPGDMAPTMEN1
SCHEMBL9349285 0.74 MEN1 (0.41) ALDH1A1ALOX15HPGDMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4267763-B1 COMPOSITIONS AND METHODS FOR HIGHLY SENSITIVE DETECTION OF TARGET SEQUENCES IN MULTIPLEX REACTIONS LIFE TECHNOLOGIES CORP (US) 2025-07-23 EP claimed
EP-3556860-B1 TYPE I-B CRISPR-CAS SYSTEM GENE CAS3-BASED GENE EDITING METHOD UNIV ANHUI (CN) 2024-03-06 EP claimed
EP-2841581-B2 TARGETED GENOME ENGINEERING IN PLANTS BASF Agricultural Solutions Seed US LLC (US) 2023-03-08 EP claimed
CN-105542508-A Disperse dye monomeric compound as well as preparation method and application of disperse dye monomeric compound YU XINGYING 2016-05-04 CN claimed
WO-2012176202-A1 ARTICLES AND METHODS FOR MONITORING URINARY TRACT INFECTION COMMON SENSE LTD. (IL) 2012-12-27 WO claimed
EP-2084232-B1 DISPERSE AZO DYESTUFFS DYSTAR COLOURS DISTRIB GMBH (DE) 2012-08-15 EP 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-7871446-B2 Disperse azo dyestuffs DyStar Colours Deutschland KG (DE) 2011-01-18 US claimed
US-20100009081-A1 3-{[4-(2-Chloro-4-nitrophenylazo)-phenyl]-ethyl-amino}-2-methyl-propionic acid vinyl ester; ink jet printing; dyeing and printing of synthetic textile material and fiber blends; dyeings on polyester with improved washfastness properties obtained if dyestuffs contain a vinyl ester group in coupling DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND (DE) 2010-01-14 US claimed
US-20090294762-A1 COMPOUND HAVING THIOL ANCHORING GROUP, METHOD OF SYNTHESIZING THE SAME, AND MOLECULAR ELECTRONIC DEVICE HAVING MOLECULAR ACTIVE LAYER FORMED USING THE COMPOUND LEE HYOYOUNG 2009-12-03 US claimed
EP-2084232-A1 DISPERSE AZO DYESTUFFS DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2009-08-05 EP claimed
WO-2008055846-A1 DISPERSE AZO DYESTUFFS DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2008-05-15 WO 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
EP-1656551-A1 LEAK DETECTION METHOD USING MICROENCAPSULATED DYE PRECURSOR Honeywell International Inc. (US) 2006-05-17 EP claimed
WO-2005019816-A1 LEAK DETECTION METHOD USING MICROENCAPSULATED DYE PRECURSOR HONEYWELL INTERNATIONAL, INC. (US) 2005-03-03 WO claimed
US-20050042758-A1 Leak detection method using microencapsulated dye precursor HONEYWELL CORPORATION 2005-02-24 US claimed
US-5162511-A Nitrosating and diazotizing reagents and reactions GAMBLIN RODGER L (US) 1992-11-10 US claimed
JP-56161466-A None JP disclosed
US-4049421-A Bactericidal, fungicidal and herbicidal 2-(N,N-dialkylamino)-3,5-dinitrothiophenes CHEVRON RESEARCH COMPANY (US) 1977-09-20 US disclosed
US-3978083-A Bactericidal, fungicidal and herbicidal 2-(N,N-dialkylamino)-3,5-dinitrothiophenes CHEVRON RESEARCH COMPANY (US) 1976-08-31 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 (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 ALDH1A1 1236/4885ALOX15 1837/4885HPGD 2911/4885
US-20100009081-A1 3-{[4-(2-Chloro-4-nitrophenylazo)-phenyl]-ethyl-amino}-2-methyl-propionic acid vinyl ester; ink jet printing; dyeing and printing of synthetic textile material and fiber blends; dyeings on polyester with improved washfastness properties obtained if dyestuffs contain a vinyl ester group in coupling WDR77, PRMT7, CBR3 ALDH1A1 929/4885ALOX15 3140/4885HPGD 1536/4885

“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.