SCHEMBL2249971

SCHEMBL2249971

CC1Cc2cccc(N)c2O1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.58
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
HTR1A P08908 4/20 0.42
BRD4 O60885 2/20 0.38
CREBBP Q92793 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CCR8 P51685 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL18181803 1.00 PARP1 (0.58) PARP1MAOAMAOBHTR1ABRD4
SCHEMBL19122972 0.78 PARP1 (0.56) PARP1MAOAMAOBHTR1ABRD4
SCHEMBL13074639 0.78 PARP1 (0.56) PARP1MAOAMAOBHTR1ABRD4
SCHEMBL31304842 0.78 PARP1 (0.37) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL18474153 0.77 PARP1 (0.54) PARP1MAOAMAOBHTR1ABRD4
SCHEMBL4596031 0.77 PARP1 (0.54) PARP1MAOAMAOBHTR1ABRD4
SCHEMBL4596860 0.77 PARP1 (0.36) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5544990 0.77 PARP1 (0.58) PARP1MAOAMAOBHTR1ABRD4
SCHEMBL5544997 0.77 MAOA (0.62) PARP1MAOAMAOBHTR1A
SCHEMBL20997664 0.77 PARP1 (0.54) PARP1MAOAMAOBHTR1ABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4231806-A1 ORGANIC LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2023-08-23 EP disclosed
US-10251827-B2 Oxidation dyeing process using a composition comprising a monoaminobenzene and a metal catalyst L'OREAL (FR) 2019-04-09 US disclosed
US-20160128922-A1 OXIDATION DYEING PROCESS USING A COMPOSITION COMPRISING A MONOAMINOBENZENE AND A METAL CATALYST L'OREAL (FR) 2016-05-12 US disclosed
US-20160128922-A1 OXIDATION DYEING PROCESS USING A COMPOSITION COMPRISING A MONOAMINOBENZENE AND A METAL CATALYST L'OREAL (FR) 2016-05-12 US disclosed
WO-2014202787-A1 OXIDATION DYEING PROCESS USING A COMPOSITION COMPRISING A MONOAMINOBENZENE AND A METAL CATALYST L'OREAL (FR) 2014-12-24 WO disclosed
US-8350028-B2 2-aminoquinolines HOFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
EP-2262774-B1 2-aminoquinolines as 5-HT5A receptor antagonists, their manufacture and pharmaceutical compositions thereof HOFFMANN LA ROCHE (CH) 2012-11-14 EP disclosed
US-7989628-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2011-08-02 US disclosed
CN-101959557-A 2-aminoquinolines as 5-HT5A receptor antagonists HOFFMANN LA ROCHE 2011-01-26 CN disclosed
EP-2262774-A2 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP disclosed
WO-2008037626-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-03 WO disclosed
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
EP-0902028-A1 Tetrazoline herbicides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-03-17 EP disclosed
EP-0724580-A1 BENZANILIDE DERIVATIVES AS 5HT-1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-08-07 EP disclosed
WO-1995011243-A1 BENZANILIDE DERIVATIVES AS 5HT-1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-04-27 WO disclosed
EP-0079683-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-05-06 EP disclosed
US-4577011-A Miticidal 2-(2-alkyl-2,3-dihydrobenzofuran-7-yl)-N-alkoxy-N-alkyl-diazenecarboxamides SHELL OIL COMPANY (US) 1986-03-18 US disclosed
US-4554283-A Aphicidal 3-(2-alkyl-2,3-dihydrobenzofuran-7-yl)-5-(R,R1 -amino)-1,3,4-oxadiazol-2(3H)-ones SHELL OIL COMPANY (US) 1985-11-19 US disclosed
US-4514211-A HERBICIDES, PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-30 US disclosed
EP-0079683-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-05-25 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 (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-10251827-B2 Oxidation dyeing process using a composition comprising a monoaminobenzene and a metal catalyst KRT18, CYB5R3, CBR3 PARP1 1125/4885MAOA 554/4885MAOB 180/4885
US-20160128922-A1 OXIDATION DYEING PROCESS USING A COMPOSITION COMPRISING A MONOAMINOBENZENE AND A METAL CATALYST KRT18, CYB5R3, CBR3 PARP1 888/4885MAOA 535/4885MAOB 200/4885

“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.