SCHEMBL519451

SCHEMBL519451

O=[N+]([O-])c1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.71
PTGS1 P23219 1/20 0.71
PTGS2 P35354 1/20 0.71
ALDH1A1 P00352 6/20 0.66
KDM4E B2RXH2 5/20 0.66
TDP1 Q9NUW8 2/20 0.66
MAPT P10636 2/20 0.63
HRH3 Q9Y5N1 1/20 0.63
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA7 P43166 1/20 0.63
CA9 Q16790 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
LMNA P02545 1/20 0.57
KCNJ1 P48048 1/20 0.57
GAA P10253 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.55

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
SCHEMBL18763442 0.94 LTA4H (0.63) LTA4HPTGS1PTGS2ALDH1A1KDM4E
SCHEMBL2719675 0.93 HRH3 (0.69) LTA4HPTGS1PTGS2ALDH1A1KDM4E
SCHEMBL24398649 0.92 TSHR (0.67) LTA4HPTGS1PTGS2ALDH1A1KDM4E
SCHEMBL18177856 0.92 HRH3 (0.76) LTA4HPTGS1PTGS2ALDH1A1KDM4E
SCHEMBL18763504 0.87 HRH3 (0.62) LTA4HPTGS1PTGS2ALDH1A1KDM4E
SCHEMBL519633 0.87 LTA4H (0.91) LTA4HPTGS1PTGS2ALDH1A1KDM4E
SCHEMBL4992188 0.85 LTA4H (0.89) LTA4HPTGS1PTGS2ALDH1A1KDM4E
SCHEMBL520019 0.84 LTA4H (0.72) LTA4HPTGS1PTGS2ALDH1A1KDM4E
SCHEMBL1961763 0.84 LTA4H (0.67) LTA4HPTGS1PTGS2ALDH1A1KDM4E
SCHEMBL29848488 0.84 LTA4H (0.67) LTA4HPTGS1PTGS2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4522618-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS Merck Patent GmbH (DE) 2025-03-19 EP disclosed
EP-4466259-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2024-11-27 EP disclosed
EP-4466258-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2024-11-27 EP disclosed
US-20240383875-A1 Benzimidazole Pyridine Derivatives HOFFMANN-LA ROCHE INC. (US) 2024-11-21 US disclosed
US-20240366581-A1 BENZIMIDAZOLE PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2024-11-07 US disclosed
CN-118591534-A Novel benzimidazole pyridine derivatives 豪夫迈·罗氏有限公司 2024-09-03 CN disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
WO-2004005282-A1 PHENYL-[4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES NOVARTIS AG (CH) 2004-01-15 WO disclosed
US-20040006058-A1 DIAMINOTHIAZOLES CHU XIN-JIE (US) 2004-01-08 US disclosed
WO-2003097048-A1 DIAMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-27 WO disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 WO disclosed
EP-0881539-B1 Photoresist composition SUMITOMO CHEMICAL CO (JP) 2003-03-26 EP disclosed
US-6040112-A MIXTURE OF DIAZOMETHANEDISULFONYL DERIVATIVE ACID GENERATOR, ETHER-CONTAINING CYCLIC TERTIARY AMINE AND POLYVINYLPHENOL HAVING SOME HYDROXYS PROTECTED WITH A 1-ETHOXYETHYL GROUP AND WHICH CAN BECOME ALKALINE INSOLUBLE BY ACTION OF AN ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-03-21 US disclosed
EP-0881539-A1 Photoresist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-12-02 EP disclosed
EP-0394440-B1 PHENYLCARBOXYLIC ACID DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1994-05-11 EP disclosed
US-4999378-A Antilipemic, anticholesterol, antidiabetic, treatment of atherosclerosis and obesity OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-03-12 US disclosed
EP-0394440-A1 PHENYLCARBOXYLIC ACID DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-10-31 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 (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-20240383875-A1 Benzimidazole Pyridine Derivatives H1-3, H1-2, H1-4 LTA4H 2346/4885PTGS1 542/4885PTGS2 723/4885
US-20240366581-A1 BENZIMIDAZOLE PYRIDINE DERIVATIVES SIK3, JAK1, SIK2 LTA4H 3328/4885PTGS1 361/4885PTGS2 328/4885
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS PDXK, DTYMK, HIPK1 LTA4H 1395/4885PTGS1 791/4885PTGS2 1467/4885
US-20040006058-A1 DIAMINOTHIAZOLES CDK4, CDK1, CDK2 LTA4H 2159/4885PTGS1 1969/4885PTGS2 2947/4885
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 LTA4H 265/4885PTGS1 174/4885PTGS2 222/4885

“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.