SCHEMBL521696

SCHEMBL521696

O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 1.00
BCHE P06276 2/20 1.00
CYP1B1 Q16678 2/20 0.88
MAOA P21397 5/20 0.73
MAPT P10636 3/20 0.71
LMNA P02545 2/20 0.70
ALDH1A1 P00352 1/20 0.70
PTPN1 P18031 1/20 0.66
PTPN12 Q05209 1/20 0.66
PTPN22 Q9Y2R2 1/20 0.66
PLIN1 O60240 1/20 0.66
TNFRSF1A P19438 1/20 0.66
ACHE P22303 1/20 0.66
RECQL P46063 1/20 0.66
PLIN5 Q00G26 1/20 0.66
ABHD5 Q8WTS1 1/20 0.66
HSPD1 P10809 2/20 0.65
HSPE1 P61604 2/20 0.65
CYP3A4 P08684 1/20 0.63
PKM P14618 1/20 0.63

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
SCHEMBL3012785 1.00 MAOB (1.00) MAOBBCHECYP1B1MAOAMAPT
SCHEMBL11803175 1.00 MAOB (1.00) MAOBBCHECYP1B1MAOAMAPT
SCHEMBL521695 0.94 CYP1B1 (1.00) MAOBBCHECYP1B1MAOAMAPT
SCHEMBL3082127 0.94 CYP1B1 (1.00) MAOBBCHECYP1B1MAOAMAPT
SCHEMBL6733854 0.92 MAOB (0.85) MAOBBCHECYP1B1MAOAMAPT
SCHEMBL6733848 0.92 MAOB (0.85) MAOBBCHECYP1B1MAOAMAPT
SCHEMBL9241211 0.89 MAOB (0.81) MAOBBCHECYP1B1MAOAMAPT
SCHEMBL9136943 0.89 MAOB (0.80) MAOBBCHECYP1B1MAOAMAPT
SCHEMBL9136940 0.89 MAOB (0.80) MAOBBCHECYP1B1MAOAMAPT
SCHEMBL7454702 0.86 PTPN1 (0.82) MAOBBCHECYP1B1MAOAMAPT

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 61 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
CN-104030984-B A kind of preparation method of pyrazole derivatives 甘肃农业大学 2016-07-13 CN claimed
CN-104030870-B A kind of preparation method of beta-cyano ketone NORTHWEST NORMAL UNIVERSITY (CN) 2015-10-28 CN claimed
CN-104030984-A Method for preparing pyrazole derivative UNIV NORTHWEST NORMAL 2014-09-10 CN claimed
CN-104030870-A Method for preparing beta-cyan ketone UNIV NORTHWEST NORMAL 2014-09-10 CN claimed
US-20120029197-A1 Method for Preparing Sulfur-Containing Compounds THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2012-02-02 US claimed
EP-2376444-A1 A METHOD FOR PREPARING SULFUR-CONTAINING COMPOUNDS The Royal College of Surgeons in Ireland (IE) 2011-10-19 EP claimed
WO-2010066450-A1 A METHOD FOR PREPARING SULFUR-CONTAINING COMPOUNDS THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2010-06-17 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
CN-119330973-A Spiro indolone pyrrolidine compound and preparation method and application thereof 贵州省天然产物研究中心 2025-01-21 CN disclosed
CN-119330973-A Spiro indolone pyrrolidine compound and preparation method and application thereof 贵州省天然产物研究中心 2025-01-21 CN disclosed
CN-114524829-B Preparation method of imidazo [2,1-b ] thiazole derivative 新疆大学 2024-04-02 CN disclosed
CN-115368268-B Method for efficiently preparing azo compound and application thereof 大连理工大学 2023-11-17 CN disclosed
US-4857527-A HYPOTENSIVE, ANTISCHEMIC AGENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-08-15 US disclosed
US-4831030-A FOR CEREBROVASCULAR DISEASES; HYPERTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 US disclosed
EP-0228845-A2 N-containing heterocyclic compounds, processes for the preparation thereof and composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-07-15 EP disclosed
US-3989708-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-11-02 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 (1 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-20120029197-A1 Method for Preparing Sulfur-Containing Compounds SULT1E1, SULT1A1, TST MAOB 1192/4885BCHE 4699/4885CYP1B1 353/4885

“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.