SCHEMBL4543192

SCHEMBL4543192

O=[N+]([O-])c1ccccc1-c1ncco1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
ACHE P22303 1/20 0.51
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
F2 P00734 1/20 0.48
C1R P00736 1/20 0.48
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ABCB1 P08183 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
EGFR P00533 1/20 0.44
BRD4 O60885 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL10610292 0.86 TDP1 (0.55) L3MBTL1ALDH1A1TDP1MAPTKMT2A
SCHEMBL2246242 0.81 ALDH1A1 (0.51) L3MBTL1ACHEALDH1A1TDP1MAPT
SCHEMBL11091901 0.81 LTA4H (0.55) ACHEALDH1A1TDP1MAPTKMT2A
SCHEMBL29033804 0.80 KCNJ1 (0.44) ALDH1A1TDP1MAPTKMT2AMEN1
SCHEMBL1919495 0.78 HPGDS (0.52) BRD4LTA4HPDE10AADRA1DADRA1A
SCHEMBL31546538 0.75 ALDH1A1 (0.51) ALDH1A1TDP1MAPTKMT2AMEN1
SCHEMBL28057928 0.75 ALDH1A1 (0.50) ALDH1A1TDP1MAPTKMT2AMEN1
SCHEMBL4823648 0.75 NPC1 (0.44) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL10552797 0.73 L3MBTL1 (0.53) L3MBTL1ACHEALDH1A1TDP1MAPT
SCHEMBL10549607 0.73 L3MBTL1 (0.56) L3MBTL1ACHEALDH1A1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11524943-B1 Benzocarbonyl compounds VIVACE THERAPEUTICS, INC. (US) 2022-12-13 US disclosed
EP-3720430-A1 BENZOCARBONYL COMPOUNDS Vivace Therapeutics, Inc. (US) 2020-10-14 EP disclosed
WO-2019113236-A1 BENZOCARBONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-06-13 WO disclosed
CN-101918371-A Amide derivatives as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2010-12-15 CN disclosed
US-7629463-B2 Ortho-heterocyclic substituted aryl amides for controlling invertebrate pests E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-12-08 US disclosed
US-20080132524-A1 Ortho-heterocyclic substituted aryl amides for controlling invertebrate pests CLARK DAVID ALAN 2008-06-05 US disclosed
US-7375232-B2 Ortho-heterocyclic substituted aryl amides for controlling invertebrate pests E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-05-20 US disclosed
US-20070004784-A1 Sulfonamides as potassium channel blockers ICAGEN, INC. (US) 2007-01-04 US disclosed
US-7008958-B2 2-substituted 5-oxazolyl indole compounds useful as IMPDH inhibitors and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2006-03-07 US disclosed
EP-1417204-B1 ORTHO-HETEROCYCLIC SUBSTITUTED ARYL AMIDES FOR CONTROLLING INVERTEBRATE PESTS DU PONT (US) 2006-01-18 EP disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0083975-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-19 EP disclosed
US-4602940-A HERBICIDES, PLANT GROWTH REGULATOR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-07-29 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed
US-4534790-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-08-13 US disclosed
US-4514214-A Herbicidal sulfamates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-30 US disclosed
US-4475944-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-10-09 US disclosed
US-4465505-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-08-14 US disclosed
EP-0096593-A2 Herbicidal sulfamates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-12-21 EP disclosed
EP-0083975-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-07-20 EP 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 (3 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-11524943-B1 Benzocarbonyl compounds YAP1, TEAD2, TEAD3 L3MBTL1 1795/4885ACHE 4854/4885ALDH1A1 2574/4885
US-20080132524-A1 Ortho-heterocyclic substituted aryl amides for controlling invertebrate pests AOC2, DDT, CBR3 L3MBTL1 448/4885ACHE 30/4885ALDH1A1 1998/4885
US-20070004784-A1 Sulfonamides as potassium channel blockers KCNJ2, KCNJ1, KCNJ11 L3MBTL1 4572/4885ACHE 1128/4885ALDH1A1 3030/4885

“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.