SCHEMBL428529

SCHEMBL428529

O=[N+]([O-])c1ccc2occc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.47
MAOB P27338 3/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAOA P21397 2/20 0.46
ALDH1A1 P00352 3/20 0.46
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
POLB P06746 1/20 0.45
PAX8 Q06710 1/20 0.45
PSMB8 P28062 1/20 0.44
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
PTPN1 P18031 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
SCHEMBL29700330 1.00 CYP2A6 (0.47) CYP2A6MAOBRAB9ANPC1SMN1; SMN2
SCHEMBL27612022 0.93 MAOB (0.49) CYP2A6MAOBRAB9ANPC1SMN1; SMN2
Butane SCHEMBL5333879 0.92 CA12 (0.44) CYP2A6MAOBRAB9ANPC1SMN1; SMN2
SCHEMBL5329937 0.89 RAB9A (0.43) CYP2A6MAOBRAB9ANPC1SMN1; SMN2
Propionic Acid SCHEMBL27841948 0.86 MAOA (0.47) MAOBRAB9ANPC1SMN1; SMN2MAOA
SCHEMBL3799970 0.85 MAPT (0.46) CYP2A6RAB9ANPC1SMN1; SMN2MAOA
SCHEMBL30469300 0.83 DYRK1A (0.49) MAOBRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL20557631 0.83 DYRK1A (0.49) MAOBRAB9ANPC1SMN1; SMN2ALDH1A1
Ethoxycarbonyl Group SCHEMBL27813205 0.83 CYP2A6 (0.41) CYP2A6MAOBRAB9ANPC1SMN1; SMN2
SCHEMBL28207356 0.82 HPGD (0.51) RAB9ASMN1; SMN2ALDH1A1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108484548-A A kind of preparation method of 5- nitro-benzofurans -2- formic ether compounds 扬州工业职业技术学院 2018-09-04 CN claimed
US-9499507-B2 Method for preparing 5-amino-benzoyl-benzofuran derivatives SANOFI (FR) 2016-11-22 US claimed
US-20150031901-A1 METHOD FOR PREPARING 5-AMINO-BENZOFURAN DERIVATIVES SANOFI (FR) 2015-01-29 US claimed
CN-102659726-B Method for synthesis of dronedarone FUJIAN COSUNTER PHARMACEUTICAL CO LTD 2014-11-19 CN claimed
US-8884033-B2 Process for preparing aminobenzoylbenzofuran derivatives SANOFI (FR) 2014-11-11 US claimed
US-20130165675-A1 PROCESS FOR PREPARING AMINOBENZOYLBENZOFURAN DERIVATIVES SANOFI (FR) 2013-06-27 US claimed
WO-2013079866-A1 METHOD FOR PREPARING 5-AMINO-BENZOYL-BENZOFURAN DERIVATIVES SANOFI (FR) 2013-06-06 WO claimed
EP-2595976-A1 PROCESS FOR PREPARING AMINOBENZOYLBENZOFURAN DERIVATIVES SANOFI (FR) 2013-05-29 EP claimed
CN-103108869-A Process for preparing aminobenzoylbenzofuran derivatives SANOFI SA 2013-05-15 CN claimed
WO-2012010788-A1 PROCESS FOR PREPARING AMINOBENZOYLBENZOFURAN DERIVATIVES SANOFI (FR) 2012-01-26 WO claimed
WO-2008139057-A2 METHOD FOR PREPARING 2-(N-BUTYL)-3-(4-HYDROXYBENZOYL)-5-NITROBENZOFURANE FINORGA (FR) 2008-11-20 WO claimed
CN-114401960-B Glue degradation agent and using method thereof NOVARTIS AG (CH) 2026-05-26 CN disclosed
CN-115594602-B Method for synthesizing aromatic amine by visible light induction 南京大学 2024-01-30 CN disclosed
CN-114380730-B Method for synthesizing N-aryl pyrrole and N-aryl indole by denitration coupling of nitroarene 广西大学 2023-12-05 CN disclosed
CN-115594602-A Visible light induced method for synthesizing aromatic amine 南京大学(CN) 2023-01-13 CN disclosed
EP-0652214-A1 N-Aryl-2-cyano-3-hydroxy propenamide derivatives, a method for their preparation, their use as medicaments and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1995-05-10 EP disclosed
WO-1994014801-A1 HETEROCYCLIC UREA DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 WO disclosed
WO-1994013620-A1 AMINOMETHYLINDANS, -BENZOFURANES AND -BENZOTHIOPHENES H. LUNDBECK A/S (DK) 1994-06-23 WO disclosed
US-5223510-A ALKYLAMINOALKYL DERIVATIVES OF BENZOFURAN, BENZOTHIOPHENE, INDOLE AND INDOLIZINE, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SANOFI (FR) 1993-06-29 US disclosed
US-3963717-A ANTIINFLAMMATORY, ANALGESIC SANDOZ, INC. (US) 1976-06-15 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 (2 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-20130165675-A1 PROCESS FOR PREPARING AMINOBENZOYLBENZOFURAN DERIVATIVES ALKBH5, ALKBH1, PRMT5 CYP2A6 345/4885MAOB 24/4885RAB9A 1329/4885
US-20150031901-A1 METHOD FOR PREPARING 5-AMINO-BENZOFURAN DERIVATIVES ALKBH5, CYP3A5, ALKBH1 CYP2A6 235/4885MAOB 440/4885RAB9A 3549/4885

“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.