SCHEMBL1289697

SCHEMBL1289697

COc1ccc2c(ccc[n+]2[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.67
CYP1A2 P05177 1/20 0.52
CYP2A6 P11509 1/20 0.52
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
HTT P42858 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.40
BCL2 P10415 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 2/20 0.38
HSD17B1 P14061 1/20 0.38

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
SCHEMBL29613359 0.82 ACHE (0.50) ACHECYP1A2CYP2A6CRHBPCRHR2
SCHEMBL12160924 0.80 ACHE (1.00) ACHECYP1A2CYP2A6CRHBPCRHR2
SCHEMBL23453280 0.78 KDM4E (0.59) ACHEKDM4EMAPTSMN1; SMN2TDP1
SCHEMBL5912659 0.78 ACHE (0.41) ACHECYP1A2KDM4ELMNAGAA
SCHEMBL5894550 0.78 ACHE (0.47) ACHECYP1A2CYP2A6CRHBPCRHR2
SCHEMBL23412344 0.78 ACHE (0.42) ACHECRHBPCRHR2KEAP1NFE2L2
SCHEMBL11818882 0.77 ACHE (0.46) ACHECYP1A2CYP2A6CRHBPCRHR2
SCHEMBL8745747 0.77 ACHE (0.41) ACHE
SCHEMBL3738777 0.76 ACHE (0.42) ACHEKDM4EALDH1A1HPGDMAPT
SCHEMBL22034130 0.76 ACHE (0.68) ACHECYP1A2CYP2A6KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197046-B Halogenation method of unsaturated hydrocarbon 华南理工大学 2023-12-15 CN claimed
CN-117384154-A Pyrroloquinolinone compound, synthesis method and application thereof 广州医科大学 2024-01-12 CN disclosed
CN-115197046-B Halogenation method of unsaturated hydrocarbon 华南理工大学 2023-12-15 CN disclosed
CN-115197046-A Halogenation method of unsaturated hydrocarbon 华南理工大学 2022-10-18 CN disclosed
CN-110256411-B Preparation method of 2, 3-disubstituted benzo-gamma-pyrone derivative 华侨大学 2022-06-07 CN disclosed
CN-108794395-B Preparation method of 2-quinolinone compounds 大连理工大学 2021-04-20 CN disclosed
CN-110256411-A A kind of 2,3- disubstituted benzenes simultaneously-preparation method of gamma-pyrone derivative 华侨大学 2019-09-20 CN disclosed
CN-108794395-A A kind of preparation method of 2- quinolinones compounds 大连理工大学 2018-11-13 CN disclosed
US-9856219-B2 Substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2018-01-02 US disclosed
US-20160340312-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors LAUREL THERAPEUTICS LTD. (CN) 2016-11-24 US disclosed
EP-1313707-A1 QUINOLINE DERIVATIVES AS ANTI-INFLAMMATION AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-28 EP disclosed
WO-2002094268-A1 TETRAHYDROQUINOLIN DERIVATIVES FOR THE INHIBITION OF DISEASES ASSOCIATED WITH ESTROGEN DEPRIVATION OR WITH AN ABERRANT PHYSIOLOGICAL RESPONSE TO ENDOGENOUS ESTROGEN ELI LILLY AND COMPANY (US) 2002-11-28 WO disclosed
WO-2002094788-A1 2-SUBSTITUTED 1,2,3,4-TETRAHYDROQUINOLINES AND DERIVATIVES THEREOF, COMPOSITIONS AND METHODS ELI LILLY AND COMPANY (US) 2002-11-28 WO disclosed
US-20020082276-A1 Quinoline derivatives as anti-inflammatory agents SNYTEX (U.S.A.) LLC 2002-06-27 US disclosed
US-20020072518-A1 For therapy tumor metastasis, tumor growth, solid tumor growth, angiogenesis, osteoporosis, humoral hypercalcemia of malignancy, smooth muscle cell migration, restenosis, atheroscelorosis, macular degeneration, retinopathy PHARMACIA CORPORATION 2002-06-13 US disclosed
WO-2002018377-A1 COMPOUNDS CONTAINING A BICYCLIC RING SYSTEM USEFUL AS ALPHA V BETA 3 ANTAGONISTS PHARMACIA CORPORATION (US) 2002-03-07 WO disclosed
WO-2002012192-A1 QUINOLENE DERIVATIVES AS ANTI-INFLAMMATION AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2002-02-14 WO disclosed
US-6183934-B1 FOE USE IN FORMATION OF PATTERN OF INSULATION FILM, PASSIVATION FILM, .ALPHA.-RAY SHIELDING FILM, OPTICAL WAVEGUIDE KABUSHIKI KAISHA TOSHIBA (JP) 2001-02-06 US disclosed
EP-1051413-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2000-11-15 EP disclosed
WO-1999037635-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1999-07-29 WO 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-20160340312-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 ACHE 1430/4885CYP1A2 110/4885CYP2A6 358/4885
US-20020072518-A1 For therapy tumor metastasis, tumor growth, solid tumor growth, angiogenesis, osteoporosis, humoral hypercalcemia of malignancy, smooth muscle cell migration, restenosis, atheroscelorosis, macular degeneration, retinopathy ITGB1, ITGB5, ITGB3 ACHE 4254/4885CYP1A2 4692/4885CYP2A6 3687/4885
US-20020082276-A1 Quinoline derivatives as anti-inflammatory agents CNR1, CNR2, PTGER4 ACHE 371/4885CYP1A2 38/4885CYP2A6 101/4885

“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.