SCHEMBL1166470

SCHEMBL1166470

O=c1ccoc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.54
▸ GABRP O00591 4/20 0.51
▸ GABRD O14764 4/20 0.51
▸ GABRA1 P14867 4/20 0.51
▸ GABRB1 P18505 4/20 0.51
▸ GABRG2 P18507 4/20 0.51
▸ GABRB3 P28472 4/20 0.51
▸ GABRA5 P31644 4/20 0.51
▸ GABRA3 P34903 4/20 0.51
▸ GABRA2 P47869 4/20 0.51
▸ GABRB2 P47870 4/20 0.51
▸ GABRA4 P48169 4/20 0.51
▸ GABRE P78334 4/20 0.51
▸ GABRA6 Q16445 4/20 0.51
▸ GABRG1 Q8N1C3 4/20 0.51
▸ GABRG3 Q99928 4/20 0.51
▸ GABRQ Q9UN88 4/20 0.51
▸ PAX8 Q06710 1/20 0.49
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47

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
SCHEMBL13978661 0.83 MAOA (0.47) PAX8MAOAMAOBFTOACHE
SCHEMBL428529 0.77 CYP2A6 (0.47) PTPN1PAX8MAOAMAOBALDH1A1
SCHEMBL29700330 0.77 CYP2A6 (0.47) PTPN1PAX8MAOAMAOBALDH1A1
SCHEMBL27612022 0.75 MAOB (0.49) MAOAMAOBALDH1A1CA12CA9
SCHEMBL9189119 0.73 KDM1A (0.61) PTPN1GABRPGABRDGABRA1GABRB1
SCHEMBL3799970 0.73 MAPT (0.46) PAX8MAOAACHEALDH1A1HSD17B10
SCHEMBL9338329 0.73 CA12 (0.51) PTPN1GABRPGABRDGABRA1GABRB1
SCHEMBL25407064 0.72 PTPN1 (0.43) PTPN1GABRPGABRDGABRA1GABRB1
SCHEMBL29705824 0.72 PARP1 (0.49) PTPN1GABRPGABRDGABRA1GABRB1
SCHEMBL4010048 0.72 PTPN1 (0.57) PTPN1GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023027630-A9 A FLOW REACTOR, METHODS OF FABRICATION AND REACTIONS THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-07-27 — — WO claimed
WO-2023027630-A2 A FLOW REACTOR, METHODS OF FABRICATION AND REACTIONS THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-03-02 — — WO claimed
US-7732534-B2 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2010-06-08 — — US claimed
US-20080051519-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2008-02-28 — — US claimed
US-20080051552-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION 2008-02-28 — — US claimed
JP-1102530-A — — None — — JP disclosed
US-20260128372-A1 NON-AQUEOUS ELECTROLYTE FOR LITHIUM SECONDARY BATTERY, AND LITHIUM SECONDARY BATTERY COMPRISING SAME LG CHEMICAL LTD (KR) 2026-05-07 — — US disclosed
EP-4576305-A1 NON-AQUEOUS ELECTROLYTE FOR LITHIUM SECONDARY BATTERY, AND LITHIUM SECONDARY BATTERY COMPRISING SAME LG CHEM, LTD. (KR) 2025-06-25 — — EP disclosed
CN-120153509-A Nonaqueous electrolyte for lithium secondary battery and lithium secondary battery comprising same 株式会社LG化学 2025-06-13 — — CN disclosed
WO-2024107030-A1 NON-AQUEOUS ELECTROLYTE FOR LITHIUM SECONDARY BATTERY, AND LITHIUM SECONDARY BATTERY COMPRISING SAME 주식회사 엘지화학 2024-05-23 — — WO disclosed
CN-114560837-B Chromone compound and preparation method and application thereof 五邑大学 2023-11-24 — — CN disclosed
US-20230277505-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-09-07 — — US disclosed
EP-1558582-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2005-08-03 — — EP disclosed
US-20050080124-A1 Treating sleep disorders insomnia; 1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-chloro-phenyl)-urea; restless leg syndrome, cardiovascular disorders, reducing blood clot ARENA PHARMACEUTIALS, INC. 2005-04-14 — — US disclosed
WO-2005012254-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERTO ARENA PHARMACEUTICALS, INC. (US) 2005-02-10 — — WO disclosed
US-6756403-B2 6-AMINOCHROMAN-2-YL CARBOXYLIC ACIDS AND ESTERS AS PLATELET AGGREGATION INHIBITORS; FROM PHENOL AND KETOGLUTARIC ACID; OR FROM 2-HYDROXYACETOPHENONE AND DIETHYLOXALATE; OR FROM NITROPHENOL AND DIETHYL ESTER OF MALEIC ACID ELI LILLY AND COMPANY 2004-06-29 — — US disclosed
US-20040053992-A1 Methods for producing chiral chromones, chromanes, amino substituted chromanes and intermediates therefor ELI LILLY AND COMPANY 2004-03-18 — — US disclosed
EP-1292589-A2 METHODS FOR PRODUCING CHIRAL CHROMONES, CHROMANES, AMINO SUBSTITUTED CHROMANES AND INTERMEDIATES THEREFOR MILLENIUM PHARMACEUTICALS, INC. (US) 2003-03-19 — — EP disclosed
WO-2001094335-A2 METHODS FOR PRODUCING CHIRAL CHROMONES, CHROMANES, AMINO SUBSTITUTED CHROMANES AND INTERMEDIATES THEREFOR ELI LILLY & COMPANY (US) 2001-12-13 — — WO disclosed
JP-H01102530-A ORGANIC NONLINEAR OPTICAL ELEMENT HITACHI LTD 1989-04-20 — — JP 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-20050080124-A1 Treating sleep disorders insomnia; 1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-chloro-phenyl)-urea; restless leg syndrome, cardiovascular disorders, reducing blood clot HTR2C, HTR2A, HTR5A PTPN1 618/4885GABRP 414/4885GABRD 578/4885
US-20260128372-A1 NON-AQUEOUS ELECTROLYTE FOR LITHIUM SECONDARY BATTERY, AND LITHIUM SECONDARY BATTERY COMPRISING SAME CLCN2, CLIC1, RER1 PTPN1 107/4885GABRP 4827/4885GABRD 4754/4885
US-20040053992-A1 Methods for producing chiral chromones, chromanes, amino substituted chromanes and intermediates therefor NOTUM, FAR1, CYP51A1 PTPN1 3946/4885GABRP 283/4885GABRD 300/4885
US-20230277505-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR2C PTPN1 629/4885GABRP 617/4885GABRD 408/4885

“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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