SCHEMBL774558

SCHEMBL774558

CCOC(=O)c1c[nH]c2c(OC)cccc2c1=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLEC4M Q9H2X3 1/20 0.76
KDM4E B2RXH2 3/20 0.70
ALDH1A1 P00352 2/20 0.70
HPGD P15428 2/20 0.70
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C19 P33261 2/20 0.56
MAPT P10636 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 1/20 0.55
POLB P06746 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
RAB9A P51151 1/20 0.55
MAPK10 P53779 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CNR2 P34972 1/20 0.54
GABRA1 P14867 4/20 0.52

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
SCHEMBL10878556 0.86 CLEC4M (0.71) CLEC4MKDM4EALDH1A1HPGDCYP1A2
SCHEMBL5133700 0.86 CLEC4M (0.71) CLEC4MKDM4EALDH1A1HPGDCYP1A2
SCHEMBL8912313 0.86 ALDH1A1 (0.61) CLEC4MKDM4EALDH1A1HPGDCYP1A2
Ethyl Acetate SCHEMBL30402120 0.85 ALDH1A1 (0.79) CLEC4MKDM4EALDH1A1HPGDCYP1A2
SCHEMBL8132372 0.85 KDM4E (0.71) CLEC4MKDM4EALDH1A1HPGDCYP1A2
SCHEMBL28287784 0.85 CLEC4M (0.82) CLEC4MKDM4EALDH1A1HPGDCYP1A2
SCHEMBL16011747 0.84 ALDH1A1 (0.73) CLEC4MKDM4EALDH1A1HPGDCYP1A2
SCHEMBL9269461 0.84 ALDH1A1 (0.73) CLEC4MKDM4EALDH1A1HPGDCYP1A2
SCHEMBL22492440 0.84 CLEC4M (0.80) CLEC4MKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL1244789 0.84 CLEC4M (0.80) CLEC4MKDM4EALDH1A1HPGDCYP1A2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0343574-B1 4(1H)-quinolone derivatives KIRIN BREWERY (JP) 1994-07-27 EP claimed
US-20170174632-A1 4-OXO-1, 4-DIHYDROQUINOLINE-3-CARBOXAMIDE AS SELECTIVE LIGAND FOR CANNABINOID RECEPTOR 2 FOR DIAGNOSIS AND THERAPY ETH ZURICH (CH) 2017-06-22 US disclosed
US-20170174632-A1 4-OXO-1, 4-DIHYDROQUINOLINE-3-CARBOXAMIDE AS SELECTIVE LIGAND FOR CANNABINOID RECEPTOR 2 FOR DIAGNOSIS AND THERAPY ETH ZURICH (CH) 2017-06-22 US disclosed
US-20170174632-A1 4-OXO-1, 4-DIHYDROQUINOLINE-3-CARBOXAMIDE AS SELECTIVE LIGAND FOR CANNABINOID RECEPTOR 2 FOR DIAGNOSIS AND THERAPY ETH ZURICH (CH) 2017-06-22 US disclosed
EP-3166930-A1 4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXAMIDE AS SELECTIVE LIGAND FOR CANNABINOID RECEPTOR 2 FOR DIAGNOSIS AND THERAPY ETH Zürich (CH) 2017-05-17 EP disclosed
WO-2016005419-A1 4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXAMIDE AS SELECTIVE LIGAND FOR CANNABINOID RECEPTOR 2 FOR DIAGNOSIS AND THERAPY ETH ZURICH (CH) 2016-01-14 WO disclosed
WO-2016005419-A1 4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXAMIDE AS SELECTIVE LIGAND FOR CANNABINOID RECEPTOR 2 FOR DIAGNOSIS AND THERAPY ETH ZURICH (CH) 2016-01-14 WO disclosed
EP-2966062-A1 4-oxo-1,4-dihydroquinoline-3-carboxamide as selective ligand for cannabinoid receptor 2 for diagnosis and therapy ETH Zurich (CH) 2016-01-13 EP disclosed
EP-2966062-A1 4-oxo-1,4-dihydroquinoline-3-carboxamide as selective ligand for cannabinoid receptor 2 for diagnosis and therapy ETH Zurich (CH) 2016-01-13 EP disclosed
US-20120071505-A1 SUBSTITUTED PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE TO TREAT OXIDATIVE STRESS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-03-22 US disclosed
WO-2011022216-A1 SUBSTITUTED PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE TO TREAT OXIDATIVE STRESS HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-24 WO disclosed
US-5438064-A For suppressing the binding of bradykinins to pain receptors AMERICAN HOME PRODUCTS CORPORATION (US) 1995-08-01 US disclosed
EP-0343574-B1 4(1H)-quinolone derivatives KIRIN BREWERY (JP) 1994-07-27 EP disclosed
US-5081121-A Cardiotonic agents KIRIN BEER KABUSHIKI KAISHA (JP) 1992-01-14 US disclosed
EP-0343574-A1 4(1H)-quinolone derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1989-11-29 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-20170174632-A1 4-OXO-1, 4-DIHYDROQUINOLINE-3-CARBOXAMIDE AS SELECTIVE LIGAND FOR CANNABINOID RECEPTOR 2 FOR DIAGNOSIS AND THERAPY CNR2, CNR1, OXER1 CLEC4M 1665/4885KDM4E 2146/4885ALDH1A1 3320/4885
US-20120071505-A1 SUBSTITUTED PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE TO TREAT OXIDATIVE STRESS HMOX2, HMOX1, MPO CLEC4M 2408/4885KDM4E 1780/4885ALDH1A1 777/4885

“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.