SCHEMBL4742564

SCHEMBL4742564

CCOC(=O)C(=CNc1cccc(C(F)(F)F)c1)C(=O)OCC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.72
DHODH Q02127 4/20 0.65
GAA P10253 7/20 0.57
MAPT P10636 5/20 0.57
ALOX12 P18054 2/20 0.57
ATM Q13315 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
KDM4E B2RXH2 3/20 0.54
POLB P06746 1/20 0.54
EGFR P00533 1/20 0.52
ERBB2 P04626 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
MAPK1 P28482 2/20 0.52
LMNA P02545 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL31312409 0.89 NPSR1 (0.56) NPSR1DHODHGAAMAPTALOX12
SCHEMBL25190960 0.84 NPSR1 (0.67) NPSR1DHODHGAAMAPTALOX12
SCHEMBL28815934 0.84 NPSR1 (1.00) NPSR1DHODHGAAMAPTALDH1A1
SCHEMBL4150771 0.83 DHODH (0.70) NPSR1DHODHGAAMAPTKDM4E
SCHEMBL18987593 0.82 DHODH (0.62) NPSR1DHODHGAAMAPTALDH1A1
SCHEMBL1904632 0.82 DHODH (0.73) NPSR1DHODHGAAMAPTKDM4E
SCHEMBL10863496 0.82 DHODH (0.68) NPSR1DHODHGAAMAPTSMN1; SMN2
SCHEMBL10988529 0.80 DHODH (0.70) NPSR1DHODHGAAMAPTKDM4E
SCHEMBL10862609 0.80 MAPT (0.76) NPSR1DHODHGAAMAPTHPGD
SCHEMBL596433 0.80 ALDH1A1 (0.60) NPSR1GAAMAPTALOX12ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773267-B [ (7-trifluoromethyl quinoline-4-yl) amino ] benzamide compound and preparation and application thereof 沈阳药科大学 2024-01-26 CN disclosed
CN-114751858-B Quinolinyl-containing tranexamic acid derivative and preparation and application thereof 沈阳药科大学 2023-09-12 CN disclosed
CN-114773267-A [ (7-trifluoromethyl quinoline-4-yl) amino ] benzamide compound and preparation and application thereof 沈阳药科大学 2022-07-22 CN disclosed
CN-114751858-A Quinolinyl-containing tranexamic acid derivative, preparation and application thereof 沈阳药科大学 2022-07-15 CN disclosed
CN-100457737-C Quinolyl amide derivative and its prepn process and use INST PHARM & TOXICOLOGY AMMS (CN) 2009-02-04 CN disclosed
WO-2008093940-A1 QUINOLINE DERIVATIVES AS CASPASE-3 INHIBITOR, PREPARATION PROCESS FOR THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUNGJIN PHARMACEUTICAL CO., LTD. (KR) 2008-08-07 WO disclosed
US-7148232-B2 Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4-amines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-12-12 US disclosed
CN-1847226-A Quinolyl amide derivative and its prepn process and use INST OF TOXICANT PHARMACOLOGY (CN) 2006-10-18 CN disclosed
EP-1380587-B1 Oxazolo, thiazolo and selenazolo [4,5-c]naphthyridine-4-amines and analogs thereof 3M INNOVATIVE PROPERTIES CO (US) 2006-03-15 EP disclosed
US-20050026943-A1 Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4-amines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY 2005-02-03 US disclosed
EP-1100802-B1 OXAZOLO, THIAZOLO AND SELENAZOLO [4,5-c]-QUINOLINE-4-AMINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2003-09-24 EP disclosed
US-20030065006-A1 Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4-amines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY 2003-04-03 US disclosed
US-20030064968-A1 Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4-amines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY 2003-04-03 US disclosed
US-20030045545-A1 Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4-amines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY 2003-03-06 US disclosed
US-6440992-B1 ARE IMMUNOMODULATORS AND INDUCE CYTOKINE BIOSYNTHESIS, INCLUDING INTERFERON AND/OR TUMOR BIOSYNTHESIS, NECROSIS FACTOR, AND INHIBIT T-HELPER-TYPE 2 IMMUNE RESPONSE; USEFUL FOR THERAPY OF VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2002-08-27 US disclosed
US-20020072528-A1 Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4-amines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY 2002-06-13 US disclosed
EP-1100802-A1 OXAZOLO, THIAZOLO AND SELENAZOLO [4,5-c]-QUINOLIN-4-AMINES AND ANALOGS THEREOF 3M Innovative Properties Company (US) 2001-05-23 EP disclosed
US-6110929-A IMMUNOMODULATORS WHICH INDUCE CYTOKINE BIOSYNTHESIS, INCLUDING INTERFERON AND/OR TUMOR BIOSYNTHESIS, NECROSIS FACTOR AND INHIBIT T-HELPER-TYPE 2 IMMUNE RESPONSE; FOR TREATMENT OF VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-08-29 US disclosed
WO-2000006577-A1 OXAZOLO, THIAZOLO AND SELENAZOLO [4,5-c]-QUINOLIN-4-AMINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-02-10 WO disclosed
EP-0174832-A2 Ethene derivatives MAY & BAKER LIMITED (GB) 1986-03-19 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 (5 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-20030064968-A1 Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4-amines and analogs thereof IFNG, THPO, IL2 NPSR1 4210/4885DHODH 93/4885GAA 2664/4885
US-20020072528-A1 Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4-amines and analogs thereof IFNG, THPO, IL2 NPSR1 4210/4885DHODH 93/4885GAA 2664/4885
US-20030065006-A1 Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4-amines and analogs thereof IFNG, THPO, IL2 NPSR1 4210/4885DHODH 93/4885GAA 2664/4885
US-20050026943-A1 Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4-amines and analogs thereof IFNG, IL2, IRF3 NPSR1 4039/4885DHODH 154/4885GAA 2552/4885
US-20030045545-A1 Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4-amines and analogs thereof IFNG, THPO, IL2 NPSR1 4210/4885DHODH 93/4885GAA 2664/4885

“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.