SCHEMBL1285702

SCHEMBL1285702

O=C(NC(C(=O)O)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.58
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
ALDH1A1 P00352 2/20 0.49
PKM P14618 1/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
PTBP1 P26599 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL1708187 1.00 ALOX5 (0.58) ALOX5CA1CA2ALDH1A1PKM
SCHEMBL1285898 1.00 ALOX5 (0.58) ALOX5CA1CA2ALDH1A1PKM
SCHEMBL3057546 0.83 ALOX5 (0.58) ALOX5ALDH1A1MEN1KMT2ALMNA
SCHEMBL3069141 0.83 ALOX5 (0.58) ALOX5ALDH1A1MEN1KMT2ALMNA
SCHEMBL3057548 0.83 ALOX5 (0.58) ALOX5ALDH1A1MEN1KMT2ALMNA
SCHEMBL3486156 0.82 ALDH1A1 (0.48) ALOX5ALDH1A1PKMMEN1KMT2A
SCHEMBL28868955 0.80 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL453158 0.80 ALOX5 (0.55) ALOX5ALDH1A1PKMMEN1KMT2A
SCHEMBL350063 0.80 ITGB3 (0.62) ALOX5ALDH1A1PKMMEN1KMT2A
SCHEMBL453156 0.80 ALOX5 (0.55) ALOX5ALDH1A1PKMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4661890-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS Purdue Research Foundation (US) 2025-12-17 EP claimed
US-12441745-B2 Processes and compounds RADIUS PHARMACEUTICALS, INC. (US) 2025-10-14 US claimed
CN-119569588-A Preparation method and intermediate of ilast hydrochloride 杭州诺澳生物医药科技有限公司 2025-03-07 CN claimed
WO-2024167565-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS PURDUE RESEARCH FOUNDATION (US) 2024-08-15 WO claimed
US-20230192685-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-06-22 US claimed
EP-4163280-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2023-04-12 EP claimed
EP-3924328-A1 PROCESSES AND COMPOUNDS Radius Pharmaceuticals, Inc. (US) 2021-12-22 EP claimed
WO-2021241611-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND 武田薬品工業株式会社 2021-12-02 WO claimed
WO-2020167855-A1 PROCESSES AND COMPOUNDS RADIUS PHARMACEUTICALS, INC. (US) 2020-08-20 WO claimed
US-10072043-B2 Inhibitors of protein tyrosine phosphatases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-09-11 US claimed
US-20110152543-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE (S)-(-)-2-(N-PROPYLAMINO)-5-METHOXYTETRALINE AND (S)-(-)-2-(N-PROPYLAMINO)-5-HYDROXYTETRALINE COMPOUNDS INTERQUIM, S.A. (ES) 2011-06-23 US claimed
WO-2010118241-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2010-10-14 WO claimed
WO-2010043571-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE (S)-(-)-2-(N-PROPYLAMINO)-5-METHOXYTETRALINE AND (S)-(-)-2-(N-PROPYLAMINO)-5-HYDROXYTETRALINE COMPOUNDS INTERQUIM, S.A. (ES) 2010-04-22 WO claimed
EP-1346988-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE 2,3-DIHYDRO- BENZOFURAN COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-11-12 EP claimed
US-7105698-B2 Process for the separation of R(-)-and S(+)-5-[2-[[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2- methoxybenzenesulfonamide RAGACTIVES, S.L. (ES) 2006-09-12 US claimed
EP-1522538-A2 METHOD OF SEPARATING R(-)- AND S(+)-5- 2- 2-(2-ETHOXYPHENOXY)ETHYL]AMINO]PROPYL-2-METHOXYBENZENE-SULPHONAMIDE Ragactives, S.L. (ES) 2005-04-13 EP claimed
US-6878831-B2 Process for preparing optically active 2,3-dihydrobenzofuran compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-04-12 US claimed
US-20050004398-A1 Process for the separation of R(-)-and S(+)-5-[2-[[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide RAGACTIVES, S.L. 2005-01-06 US claimed
US-20040077712-A1 Process for preparing optically active 2,3-dihydrobenzofuran compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-22 US claimed
EP-1346988-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE 2,3-DIHYDRO- BENZOFURAN COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2003-09-24 EP 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 (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-10072043-B2 Inhibitors of protein tyrosine phosphatases PTPRCAP, PTPRF, PTPRS ALOX5 4159/4885CA1 4047/4885CA2 3509/4885
US-12441745-B2 Processes and compounds ESR1, ESR2, CYP19A1 ALOX5 2737/4885CA1 2504/4885CA2 4350/4885
US-20040077712-A1 Process for preparing optically active 2,3-dihydrobenzofuran compounds ALDH1A2, PARK7, DHPS ALOX5 873/4885CA1 1908/4885CA2 1878/4885
US-20230192685-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND MALT1, CYP51A1, ME1 ALOX5 759/4885CA1 187/4885CA2 114/4885
US-20110152543-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE (S)-(-)-2-(N-PROPYLAMINO)-5-METHOXYTETRALINE AND (S)-(-)-2-(N-PROPYLAMINO)-5-HYDROXYTETRALINE COMPOUNDS PARK7, THOP1, SNCA ALOX5 372/4885CA1 4506/4885CA2 3415/4885
US-20050004398-A1 Process for the separation of R(-)-and S(+)-5-[2-[[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide ADRB2, ADRB1, ADRA2B ALOX5 1800/4885CA1 2978/4885CA2 115/4885

“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.