SCHEMBL2116582

SCHEMBL2116582

NNc1nc2ccc([N+](=O)[O-])cc2s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.67
ALDH1A1 P00352 5/20 0.66
TDP1 Q9NUW8 2/20 0.66
CYP3A4 P08684 1/20 0.66
TSHR P16473 1/20 0.66
KMT2A Q03164 6/20 0.62
RIPK1 Q13546 1/20 0.62
SMN1; SMN2 Q16637 5/20 0.61
HTT P42858 2/20 0.61
PDK1 Q15118 1/20 0.60
MEN1 O00255 5/20 0.60
NPC1 O15118 4/20 0.60
MAPT P10636 4/20 0.60
RAB9A P51151 3/20 0.60
PKM P14618 2/20 0.60
POLB P06746 1/20 0.60
STAT1 P42224 1/20 0.60
MCL1 Q07820 1/20 0.60
ACP1 P24666 1/20 0.60
CA2 P00918 1/20 0.59

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
SCHEMBL11875528 0.88 RIPK1 (0.62) DYRK1AALDH1A1TDP1CYP3A4TSHR
SCHEMBL3753095 0.85 DYRK1A (0.71) DYRK1AALDH1A1TDP1CYP3A4TSHR
SCHEMBL27566837 0.83 DYRK1A (0.76) DYRK1AALDH1A1TDP1CYP3A4TSHR
SCHEMBL29974725 0.82 DYRK1A (0.67) DYRK1AALDH1A1TDP1CYP3A4TSHR
SCHEMBL11157181 0.82 DYRK1A (0.64) DYRK1AALDH1A1TDP1CYP3A4TSHR
SCHEMBL28878443 0.82 DYRK1A (0.67) DYRK1AALDH1A1TDP1CYP3A4TSHR
SCHEMBL5310554 0.82 RIPK1 (0.73) DYRK1AALDH1A1TDP1CYP3A4TSHR
SCHEMBL23510629 0.81 DYRK1A (0.66) DYRK1AALDH1A1TDP1CYP3A4TSHR
SCHEMBL31527831 0.81 DYRK1A (0.62) DYRK1AALDH1A1TDP1CYP3A4TSHR
SCHEMBL16732745 0.81 DYRK1A (0.78) DYRK1AALDH1A1KMT2ASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160175303-A1 SYNTHESIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-06-23 US claimed
US-20120095021-A1 SYNTHSIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2012-04-19 US claimed
US-9949970-B2 Synthesis of new benzothiazole derivatives as potential anti-tubercular agents COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-04-24 US disclosed
US-9932300-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-03 US disclosed
US-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-11-03 US disclosed
US-9421211-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-08-23 US disclosed
US-20160175303-A1 SYNTHESIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-06-23 US disclosed
US-9273039-B2 Synthesis of new benzothiazole derivatives as potential anti-tubercular agents COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-03-01 US disclosed
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-10 US disclosed
US-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI (JP) 2012-04-26 US disclosed
US-20120095021-A1 SYNTHSIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2012-04-19 US disclosed
US-20050096471-A1 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 US disclosed
EP-1473286-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-03 EP disclosed
US-5445854-A A cured epoxy resins having glycidyl aromatic or heterocylic hydrazone monomer; high glass transition temperature, stability THE DOW CHEMICAL COMPANY (US) 1995-08-29 US disclosed
US-5288816-A High glass transition temperature; stability THE DOW CHEMICAL COMPANY (US) 1994-02-22 US disclosed
WO-1994003557-A1 NOVEL NONLINEAR OPTICAL AMINOARYL HYDRAZONES AND NONLINEAR OPTICAL POLYMERS THEREOF THE DOW CHEMICAL COMPANY (US) 1994-02-17 WO disclosed
US-5208299-A Optical polymers for electronic processors and integrated circuits THE DOW CHEMICAL COMPANY (US) 1993-05-04 US disclosed
US-4837308-A Process for the preparation of azo compounds BAYER AKTIENGESELLSCHAFT (DE) 1989-06-06 US disclosed
EP-0201892-B1 METHOD OF MAKING AZO COMPOUNDS BAYER AG (DE) 1989-03-08 EP disclosed
EP-0201892-A1 Method of making azo compounds BAYER AG (DE) 1986-11-20 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-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation NSUN2, EIF2AK2, RNGTT DYRK1A 3593/4885ALDH1A1 3464/4885TDP1 442/4885
US-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR DYRK1A 1872/4885ALDH1A1 1191/4885TDP1 4617/4885
US-20160175303-A1 SYNTHESIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS TST, TBCA, SDHA DYRK1A 4405/4885ALDH1A1 782/4885TDP1 2566/4885
US-20120095021-A1 SYNTHSIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS TST, SDHB, SDHA DYRK1A 4011/4885ALDH1A1 1613/4885TDP1 1091/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR DYRK1A 1872/4885ALDH1A1 1191/4885TDP1 4617/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT DYRK1A 3593/4885ALDH1A1 3464/4885TDP1 442/4885

“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.