SCHEMBL9448642

SCHEMBL9448642

O=Cc1ccc(O)c(O)c1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.53
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
XDH P47989 1/20 0.41
S100A4 P26447 1/20 0.40
GPR35 Q9HC97 1/20 0.40

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
SCHEMBL16838213 0.86 ERN1 (0.55) ERN1ALDH5A1ABATXDHS100A4
SCHEMBL28223814 0.85 ERN1 (0.53) ERN1ALDH5A1ABATXDHS100A4
SCHEMBL16838201 0.83 ERN1 (0.51) ERN1ALDH5A1ABATXDHGPR35
SCHEMBL16838215 0.83 ERN1 (0.61) ERN1ALDH5A1ABATXDHGPR35
SCHEMBL7421989 0.83 ERN1 (0.40) ERN1ALDH5A1ABATS100A4GPR35
SCHEMBL7421986 0.83 S100A4 (0.43) ERN1ALDH5A1ABATS100A4GPR35
SCHEMBL11868078 0.81 ERN1 (0.46) ERN1S100A4
SCHEMBL12362299 0.81 ERN1 (0.50) ERN1ALDH5A1ABATGPR35
SCHEMBL10907248 0.80 EGFR (0.49) ERN1
SCHEMBL29652066 0.79 GPR35 (0.54) ERN1ALDH5A1ABATS100A4GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013139931-A1 COMPOSITION FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WITH PARKINSONIAN SYNDROMES ICM (INSTITUT DU CERVEAU ET DE LA MOELLE ÉPINIÈRE) (FR) 2013-09-26 WO claimed
US-12404269-B2 Aminoquinazolinone and aminoisoquinolinone derivatives and application thereof ZHEJIANG UNIVERSITY (CN) 2025-09-02 US disclosed
US-20220017505-A1 AMINOQUINAZOLINONE AND AMINOISOQUINOLINONE DERIVATIVES AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-01-20 US disclosed
EP-3904343-A1 AMINO QUINAZOLINONE, AMINO ISOQUINOLONE DERIVATIVES AND APPLICATION THEREOF Zhejiang University (CN) 2021-11-03 EP disclosed
CN-109516961-B Aminoquinazolinone and aminoisoquinolinone derivatives and uses thereof 浙江大学 2021-01-01 CN disclosed
CN-110003031-A Amphiphilic molecule containing o-nitrobenzyl ester photodegradation group and synthetic method thereof 大连理工大学 2019-07-12 CN disclosed
CN-109516961-A Aminoquinazolinone and aminoisoquinoline ketone derivatives and its application 浙江大学 2019-03-26 CN disclosed
CN-107652310-A The cephem compounds of 2 substitutions 葛兰素集团有限公司 2018-02-02 CN disclosed
CN-104884460-B 2-substituted Cephem compounds 葛兰素集团有限公司 2017-11-03 CN disclosed
US-9622988-B2 Small molecule xanthine oxidase inhibitors and methods of use BAYLOR COLLEGE OF MEDICINE (US) 2017-04-18 US disclosed
US-8883857-B2 Small molecule xanthine oxidase inhibitors and methods of use BAYLOR COLLEGE OF MEDICINE (US) 2014-11-11 US disclosed
US-8883857-B2 Small molecule xanthine oxidase inhibitors and methods of use BAYLOR COLLEGE OF MEDICINE (US) 2014-11-11 US disclosed
US-20140329909-A1 SMALL MOLECULE XANTHINE OXIDASE INHIBITORS AND METHODS OF USE BAYLOR COLLEGE OF MEDICINE 2014-11-06 US disclosed
US-20140329909-A1 SMALL MOLECULE XANTHINE OXIDASE INHIBITORS AND METHODS OF USE BAYLOR COLLEGE OF MEDICINE 2014-11-06 US disclosed
US-20140163045-A1 Small Molecule Xanthine Oxidase Inhibitors and Methods of Use BAYLOR COLLEGE OF MEDICINE (US) 2014-06-12 US disclosed
US-20140163045-A1 Small Molecule Xanthine Oxidase Inhibitors and Methods of Use BAYLOR COLLEGE OF MEDICINE (US) 2014-06-12 US disclosed
WO-2014068388-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-05-08 WO disclosed
WO-2013139931-A1 COMPOSITION FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WITH PARKINSONIAN SYNDROMES ICM (INSTITUT DU CERVEAU ET DE LA MOELLE ÉPINIÈRE) (FR) 2013-09-26 WO disclosed
CN-101500419-A Compounds useful for treating HIV MILLENIA HOPE PHARMACEUTICALS (CA) 2009-08-05 CN disclosed
US-5254726-A Reacting aromatic nitroaldehydes having protected hydroxyl groups with labeled fluoride ion THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF ENERGY (US) 1993-10-19 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 (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-12404269-B2 Aminoquinazolinone and aminoisoquinolinone derivatives and application thereof PIK3R5, PIK3CA, PIK3R1 ERN1 3363/4885ALDH5A1 2595/4885ABAT 704/4885
US-20220017505-A1 AMINOQUINAZOLINONE AND AMINOISOQUINOLINONE DERIVATIVES AND APPLICATION THEREOF PIK3R5, PIK3CA, PIK3R1 ERN1 3363/4885ALDH5A1 2595/4885ABAT 704/4885
US-20140329909-A1 SMALL MOLECULE XANTHINE OXIDASE INHIBITORS AND METHODS OF USE XDH, PNPO, AOX1 ERN1 1482/4885ALDH5A1 238/4885ABAT 92/4885
US-20140163045-A1 Small Molecule Xanthine Oxidase Inhibitors and Methods of Use XDH, PNPO, AOX1 ERN1 1482/4885ALDH5A1 238/4885ABAT 92/4885

“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.