SCHEMBL3539017

SCHEMBL3539017

O=[N+]([O-])c1ccc(-c2c[c]ccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
APP P05067 1/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
ACHE P22303 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
CRHBP P24387 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL3299033 0.82 TSHR (0.53) POLBALDH1A1LMNAMAPTACHE
Water SCHEMBL28196816 0.80 MAPK1 (0.71) POLBMAPK1CA12CA1CA2
Water SCHEMBL4868802 0.80 MAPK1 (0.71) POLBMAPK1CA12CA1CA2
SCHEMBL17200847 0.79 ALDH1A1 (0.37) MAPK1ALDH1A1HSD17B10KMT2AMEN1
Water SCHEMBL28670631 0.79 CA1 (0.64) POLBMAPK1CA12CA1CA2
SCHEMBL51060 0.78
SCHEMBL28669729 0.78 CA1 (0.53) POLBMAPK1CA12CA1CA2
SCHEMBL695228 0.78 CA1 (0.53) POLBMAPK1CA12CA1CA2
SCHEMBL25187033 0.78 MAPK1 (0.74) POLBMAPK1CA12CA1CA2
SCHEMBL167524 0.78 MAPK1 (0.74) POLBMAPK1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239922-A1 PHOTOCURABLE COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2024-07-18 US disclosed
US-20240191003-A1 COMPOSITION AND PHOTOSENSITIVE COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2024-06-13 US disclosed
US-20240192593-A1 PHOTOSENSITIVE COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2024-06-13 US disclosed
CN-117999296-A Composition and photosensitive composition 东京应化工业株式会社 2024-05-07 CN disclosed
CN-117980347-A Photosensitive composition 东京应化工业株式会社 2024-05-03 CN disclosed
CN-117980346-A Composition and photosensitive composition 东京应化工业株式会社 2024-05-03 CN disclosed
CN-117908327-A Composition and photosensitive composition 东京应化工业株式会社 2024-04-19 CN disclosed
CN-117908326-A Photosensitive composition 东京应化工业株式会社 2024-04-19 CN disclosed
EP-4317196-A1 PHOTOCURABLE COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2024-02-07 EP disclosed
CN-117178001-A Photocurable composition 东京应化工业株式会社 2023-12-05 CN disclosed
US-20070293667-A1 4-Amino-quinazolines MEDERSKI WERNER 2007-12-20 US disclosed
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents ORTHO-MCNEIL PHARMACEUTICALS, INC. 2006-01-26 US disclosed
WO-2004030671-A2 USE OF 4-AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
WO-2004030672-A1 USE OF 4 AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
US-20040044204-A1 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICALS, INC. 2004-03-04 US disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
EP-1318985-A2 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
EP-1318984-A1 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002024666-A2 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 WO disclosed
WO-2002024667-A1 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 WO 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 (4 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-20040044204-A1 4-amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 POLB 4776/4885MAPK1 2785/4885CA12 3090/4885
US-20240192593-A1 PHOTOSENSITIVE COMPOSITION PPOX, ERCC1, ERCC5 POLB 61/4885MAPK1 4624/4885CA12 543/4885
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents SERPINA3, APOL1, MGAT3 POLB 4723/4885MAPK1 3502/4885CA12 3184/4885
US-20070293667-A1 4-Amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 POLB 4818/4885MAPK1 2833/4885CA12 2916/4885

“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.