SCHEMBL445246

SCHEMBL445246

COc1cc[c]c([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 1/20 0.41
FBP1 P09467 2/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.38
SNCA P37840 2/20 0.38
HNF4A P41235 2/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
TLR9 Q9NR96 1/20 0.37
NFE2L2 Q16236 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6193222 0.82 CYP1A1 (0.46) FBP1NFE2L2GAA
SCHEMBL3538557 0.82 APP (0.44) ALDH1A1MAPK1FBP1MAPTKDM4E
SCHEMBL2951456 0.81 ALDH1A1 (0.34) ALDH1A1MAPK1FBP1MAPTKDM4E
SCHEMBL27727721 0.81 ALDH1A1 (0.37) ALDH1A1MAPK1PTGS1PTGS2MAPT
SCHEMBL9653775 0.80 ACHE (0.41) MAPK1MAPTKDM4ETLR9MEN1
SCHEMBL3278019 0.77 MAPT (0.37) ALDH1A1MAPTKDM4EHTTMEN1
SCHEMBL9650828 0.77 MEN1 (0.38) ALDH1A1MAPK1MAPTHTTMEN1
SCHEMBL27733187 0.77 TLR4 (0.45) ALDH1A1MAPTKDM4EHTTMEN1
SCHEMBL17187286 0.77
SCHEMBL9652782 0.77 TLR4 (0.48) ALDH1A1MAPK1MAPTKDM4ERECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303561-A1 PYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREOF AND USE THEREOF IN RESISTING MYCOBACTERIUM TUBERCULOSIS INFECTION INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2023-09-28 US claimed
EP-4180429-A1 PYRIMIDINONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF AGAINST MYCOBACTERIUM TUBERCULOSIS INFECTION Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) 2023-05-17 EP claimed
CN-113880762-B Triacylamine derivatives containing 1,8-naphthalimide as well as preparation method and application thereof 河北农业大学 2023-02-21 CN claimed
CN-114081890-A Application of pyrimidone derivatives in resisting mycobacterium tuberculosis infection 中国医学科学院医药生物技术研究所 2022-02-25 CN claimed
CN-113880762-A 1, 8-naphthalimide-containing triacylamine derivatives, and preparation method and application thereof 河北农业大学 2022-01-04 CN claimed
CN-111925368-B Pyrimidone derivatives, preparation method thereof and application thereof in resisting mycobacterium tuberculosis infection 中国医学科学院医药生物技术研究所 2021-11-05 CN claimed
CN-113416229-A Cytotoxic and antimitotic compounds, and methods of use thereof 酵活有限公司 2021-09-21 CN claimed
CN-111925368-A Pyrimidone derivatives, preparation method thereof and application thereof in resisting mycobacterium tuberculosis infection 中国医学科学院医药生物技术研究所 2020-11-13 CN claimed
US-10675355-B2 VAR2CSA-drug conjugates VAR2 PHARMACEUTICALS APS (DK) 2020-06-09 US claimed
US-20190345254-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS INC (CA) 2019-11-14 US claimed
US-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 US claimed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP claimed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US claimed
WO-2004022534-A1 ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO claimed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 WO claimed
EP-0805795-B1 NOVEL AROMATIC AMIDES, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME, AND USE THEREOF AS PESTICIDES HOECHST SCHERING AGREVO SA (FR) 2000-08-23 EP claimed
EP-0805795-A1 NOVEL AROMATIC AMIDES, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME, AND USE THEREOF AS PESTICIDES Hoechst Schering AgrEvo S.A. (FR) 1997-11-12 EP claimed
WO-1996022965-A1 NOVEL AROMATIC AMIDES, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME, AND USE THEREOF AS PESTICIDES HOECHST SCHERING AGREVO S.A. (FR) 1996-08-01 WO claimed
US-4440845-A CHARGE TRANSFER COMPOUND RICOH CO., LTD. (JP) 1984-04-03 US claimed
US-4137325-A Antisecretory oxamic acid esters AMERICAN HOME PRODUCTS CORPORATION (US) 1979-01-30 US 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 (5 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-20230303561-A1 PYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREOF AND USE THEREOF IN RESISTING MYCOBACTERIUM TUBERCULOSIS INFECTION DHPS, DHFR, QDPR ALDH1A1 234/4885MAPK1 954/4885FBP1 314/4885
US-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors SLC1A2, SLC6A7, SLC1A1 ALDH1A1 572/4885MAPK1 1336/4885FBP1 495/4885
US-20190345254-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME CCNB1, PLK1, BOD1L1 ALDH1A1 3393/4885MAPK1 2401/4885FBP1 3670/4885
US-10675355-B2 VAR2CSA-drug conjugates VARS1, GUSB, VAV1 ALDH1A1 527/4885MAPK1 4878/4885FBP1 2562/4885
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT ALDH1A1 433/4885MAPK1 4542/4885FBP1 742/4885

“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.