SCHEMBL4531025

SCHEMBL4531025

C1=Cc2ccccc2C(c2cnc3ccccc3c2)[N]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.39
CYP1A2 P05177 1/20 0.39
PDGFRB P09619 3/20 0.36
PDGFRA P16234 3/20 0.36
MGAM O43451 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP2A6 P11509 1/20 0.34
BIRC5 O15392 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP11B1 P15538 1/20 0.32

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
SCHEMBL4405510 0.73 SLC6A4 (0.41) SLC6A4CYP1A2PDGFRBPDGFRAMGAM
SCHEMBL17785558 0.66 KDM4E (0.56) SLC6A4CYP1A2PDGFRBPDGFRAMGAM
SCHEMBL5974206 0.65 SLC6A4 (0.50) SLC6A4CYP1A2PDGFRBPDGFRAMGAM
SCHEMBL27684370 0.65 CYP1A2 (0.48) SLC6A4CYP1A2PDGFRBPDGFRAMGAM
SCHEMBL2527124 0.64 CYP1A2 (0.47) SLC6A4CYP1A2PDGFRBPDGFRAMGAM
SCHEMBL19606347 0.64 PSMB5 (0.57) SLC6A4CYP1A2PDGFRBPDGFRAMGAM
SCHEMBL13991760 0.64 SLC6A4 (0.52) SLC6A4CYP1A2PDGFRBPDGFRAMGAM
SCHEMBL3088721 0.64 PSMB5 (0.61) SLC6A4CYP1A2PDGFRBPDGFRAMGAM
SCHEMBL28090016 0.64 CYP1A2 (0.43) SLC6A4CYP1A2PDGFRBPDGFRAMGAM
SCHEMBL2207389 0.64 SLC18A3 (0.50) SLC6A4CYP1A2PDGFRBPDGFRAPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230111656-A1 METHODS OF CONTROLLING OR PREVENTING INFESTATION OF SOYBEAN PLANTS BY THE PHYTOPATHOGENIC MICROORGANISM CORYNESPORA CASSIICOLA SYNGENTA CROP PROTECTION AG (CH) 2023-04-13 US disclosed
EP-4117436-A1 METHODS OF CONTROLLING OR PREVENTING INFESTATION OF PLANTS BY THE PHYTOPATHOGENIC MICROORGANISM CORYNESPORA CASSIICOLA Syngenta Crop Protection AG (CH) 2023-01-18 EP disclosed
WO-2021180974-A1 METHODS OF CONTROLLING OR PREVENTING INFESTATION OF PLANTS BY THE PHYTOPATHOGENIC MICROORGANISM CORYNESPORA CASSIICOLA SYNGENTA CROP PROTECTION AG (CH) 2021-09-16 WO disclosed
EP-1736471-B1 3-(DIHYDRO(TETRAHYDRO)ISOQUINOLIN-1-YL)QUINOLINES MITSUI CHEMICALS AGRO INC (JP) 2014-01-08 EP disclosed
US-7632783-B2 fungicides, pesticides for protecting rice crop, tomatoes, cucumbers and green beans; 3-(5-fluoro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)quinoline MITSUI CHEMICALS AGRO, INC. (JP) 2009-12-15 US disclosed
US-7632783-B2 fungicides, pesticides for protecting rice crop, tomatoes, cucumbers and green beans; 3-(5-fluoro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)quinoline MITSUI CHEMICALS AGRO, INC. (JP) 2009-12-15 US disclosed
US-20080275242-A1 3-(Dihydro(Tetrahydro)Isoquinolin-1-Yl)Quinoline Compound MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2008-11-06 US disclosed
US-20080275242-A1 3-(Dihydro(Tetrahydro)Isoquinolin-1-Yl)Quinoline Compound MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2008-11-06 US disclosed
EP-1736471-A1 3-(DIHYDRO(TETRAHYDRO)ISOQUINOLIN-1-YL)QUINOLINES Sankyo Agro Company, Limited (JP) 2006-12-27 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 (1 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-20080275242-A1 3-(Dihydro(Tetrahydro)Isoquinolin-1-Yl)Quinoline Compound QTRT1, RABL3, RECQL SLC6A4 3640/4885CYP1A2 171/4885PDGFRB 4549/4885

“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.