SCHEMBL1997539

SCHEMBL1997539

O=Cc1coc2ccc([N+](=O)[O-])cc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 11/20 1.00
▸ PTPN2 P17706 2/20 0.56
▸ MAOA P21397 3/20 0.54
▸ MAOB P27338 3/20 0.54
▸ ERN1 O75460 1/20 0.46
▸ KDM1A O60341 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA9 Q16790 1/20 0.43

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
SCHEMBL29954392 1.00 PTPN1 (1.00) PTPN1PTPN2MAOAMAOBERN1
SCHEMBL4010077 0.89 PTPN1 (0.81) PTPN1PTPN2MAOAMAOBERN1
SCHEMBL29951939 0.88 PTPN1 (0.79) PTPN1PTPN2MAOAMAOBERN1
SCHEMBL13978670 0.85 PTPN1 (0.74) PTPN1PTPN2MAOAMAOBALDH1A1
SCHEMBL1993748 0.83 PTPN1 (0.69) PTPN1PTPN2MAOAMAOBKDM1A
SCHEMBL27700646 0.79 PTPN1 (0.65) PTPN1MAOAMAOBKDM1AALDH1A1
SCHEMBL11508755 0.75 PTPN1 (0.60) PTPN1MAOAMAOBKDM1AALDH1A1
SCHEMBL23707495 0.75 PTPN1 (0.67) PTPN1PTPN2MAOAMAOBALDH1A1
SCHEMBL12174817 0.75 PTPN1 (0.67) PTPN1PTPN2MAOAMAOBALDH1A1
SCHEMBL5363245 0.75 PTPN1 (1.00) PTPN1PTPN2MAOAMAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011072228-A1 SPECTRAL IMAGING OF PHOTOLUMINESCENT MATERIALS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-06-16 — — WO claimed
US-3984441-A ANTIALLERGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-10-05 — — US claimed
EP-4306106-A1 NITRO-CONTAINING COMPOUNDS, COMPOSITIONS AND USES THEREOF Universidade de Aveiro (PT) 2024-01-17 — — EP disclosed
CN-115433200-B Tetracyclic compound containing chroman-4-one structure, synthesis method and application 广州大学 2023-07-21 — — CN disclosed
CN-115433200-A Tetracyclic compound containing chroman-4-one structure, synthetic method and application 广州大学 2022-12-06 — — CN disclosed
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-11-03 — — US disclosed
US-8022063-B2 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-09-20 — — US disclosed
EP-2336113-A1 CRTH2 Receptor Ligands for Medical Use 7TM Pharma A/S (DK) 2011-06-22 — — EP disclosed
US-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses 7TM PHARMA A/S (DK) 2009-04-16 — — US disclosed
US-7202265-B2 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. (US) 2007-04-10 — — US disclosed
EP-1758579-A1 CRTH2 RECEPTOR LIGANDS FOR MEDICINAL USES 7TM Pharma A/S (DK) 2007-03-07 — — EP disclosed
WO-2005115382-A1 CRTH2 RECEPTOR LIGANDS FOR MEDICINAL USES 7TM PHARMA A/S (DK) 2005-12-08 — — WO disclosed
US-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. 2005-09-08 — — US disclosed
US-6787671-B2 FOR PRODUCTION OF ALDEHYDES, CARBOXYLIC ACIDS, ESTERS, OR KETONES VIA REACTION OF OSMIUM CATALYST AND PEROXYMONOSULFURIC ACID BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2004-09-07 — — US disclosed
US-20030149299-A1 Catalytic osmium-assisted oxidative cleavage of olefins BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2003-08-07 — — US disclosed
WO-2003060852-A2 CATALYTIC OSMIUM-ASSISTED OXIDATIVE CLEAVAGE OF OLEFINS MICHIGAN STATE UNIVERSITY (US) 2003-07-24 — — WO disclosed
US-6506763-B2 Useful in prevention and treatment of protein kinase related disorders such as cancer SUGEN, INC. 2003-01-14 — — US disclosed
US-6133305-A PREVENTION AND TREATMENT OF PROTEIN KINASE RELATED DISORDERS SUCH AS CANCER SUGEN, INC. (US) 2000-10-17 — — US disclosed
WO-2000053313-A2 LANTHANIDE CATALYSTS FOR SYNTHESIS OF COMPOUNDS AND COMBINATORIAL LIBRARIES ARQULE, INC. (US) 2000-09-14 — — 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-20030149299-A1 Catalytic osmium-assisted oxidative cleavage of olefins OXER1, OXSR1, AOX1 PTPN1 4471/4885PTPN2 4760/4885MAOA 124/4885
US-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses HRH1, HRH2, HRH3 PTPN1 3937/4885PTPN2 3736/4885MAOA 3381/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 PTPN1 3876/4885PTPN2 3983/4885MAOA 3509/4885
US-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease FRK, PTK2, DSTYK PTPN1 882/4885PTPN2 1051/4885MAOA 1231/4885

“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.

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