SCHEMBL629699

SCHEMBL629699

O=C(O)c1cc([N+](=O)[O-])c(O)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
DTYMK P23919 1/20 0.47
ALDH1A1 P00352 3/20 0.46
GPR35 Q9HC97 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
CASP6 P55212 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TPMT P51580 1/20 0.44
CDK2 P24941 2/20 0.43
MAPT P10636 2/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL3707307 0.92 CA1 (0.49) CA1CA2DTYMKALDH1A1GPR35
SCHEMBL9489644 0.90 CA1 (0.50) CA1CA2DTYMKALDH1A1GPR35
SCHEMBL9489661 0.90 CA1 (0.50) CA1CA2DTYMKALDH1A1GPR35
SCHEMBL2722414 0.88 DTYMK (0.51) CA1CA2DTYMKALDH1A1GPR35
SCHEMBL31514660 0.86 GPR35 (0.47) CA1CA2ALDH1A1GPR35SMN1; SMN2
SCHEMBL1162089 0.83 LMNA (0.53) CA1CA2DTYMKALDH1A1GPR35
SCHEMBL2240139 0.83 TSHR (0.53) CA1CA2DTYMKALDH1A1GPR35
SCHEMBL22126666 0.83 CA1 (0.45) CA1CA2DTYMKALDH1A1GPR35
SCHEMBL16321653 0.83 CA1 (0.45) CA1CA2DTYMKALDH1A1GPR35
SCHEMBL1787500 0.83 ALDH1A1 (0.50) CA1CA2DTYMKALDH1A1GPR35

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260478-B Preparation method and application of high-strength high-toughness polylactic acid copolymer 绍兴文理学院 2024-02-02 CN claimed
CN-114292305-A Pharmaceutical co-crystal of progesterone and formic acid derivative and application thereof 国家卫生健康委科学技术研究所 2022-04-08 CN claimed
CN-110396052-A Synthesis method of 5-amino-2, 4-dihydroxybenzoic acid UNIV ZHEJIANG TECHNOLOGY 2019-11-01 CN claimed
CN-109608347-A The preparation method of 5- amino -2,4- dihydroxy-benzoic acid 上海博栋化学科技有限公司 2019-04-12 CN claimed
CN-115260478-B Preparation method and application of high-strength high-toughness polylactic acid copolymer 绍兴文理学院 2024-02-02 CN disclosed
WO-2023287241-A1 NOVEL BENZOXAZOLAMINE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER COMPRISING SAME 주식회사 휴사이온 2023-01-19 WO disclosed
CN-115260478-A Preparation method and application of high-strength high-toughness polylactic acid copolymer 绍兴文理学院 2022-11-01 CN disclosed
CN-114292305-A Pharmaceutical co-crystal of progesterone and formic acid derivative and application thereof 国家卫生健康委科学技术研究所 2022-04-08 CN disclosed
CN-114292305-A Pharmaceutical co-crystal of progesterone and formic acid derivative and application thereof 国家卫生健康委科学技术研究所 2022-04-08 CN disclosed
CN-110396052-A Synthesis method of 5-amino-2, 4-dihydroxybenzoic acid UNIV ZHEJIANG TECHNOLOGY 2019-11-01 CN disclosed
CN-110396052-A Synthesis method of 5-amino-2, 4-dihydroxybenzoic acid UNIV ZHEJIANG TECHNOLOGY 2019-11-01 CN disclosed
CN-109608347-A The preparation method of 5- amino -2,4- dihydroxy-benzoic acid 上海博栋化学科技有限公司 2019-04-12 CN disclosed
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP disclosed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
CN-101326173-A Thiadiazoles derivant as anti-diabetes agent NOVARTIS AG (CH) 2008-12-17 CN disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 WO disclosed
US-6495680-B1 A HELICAL COMPOSITION COMPRISING A PLURALITY OF AROMATIC SUBSTITUENTS LINKED BY AT LEAST ONE AMIDE GROUP, THE COMPOSITION HAVING A CURVED BACKBONE DUE AT LEAST IN PART TO INTRAMOLECULAR HYDROGEN BONDS THAT RIGIDIFY THE AMIDE LINKAGE THE UNIVERSITY OF TOLEDO 2002-12-17 US disclosed
US-5201945-A Mixture of water soluble polysaccharide and organic acid SHIN-ETSU CHEMICAL CO., LTD. (JP) 1993-04-13 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 (1 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-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC CA1 3771/4885CA2 1607/4885DTYMK 1467/4885

“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.