SCHEMBL4405510

SCHEMBL4405510

C1=Cc2ccccc2C(c2cnc3ccccc3c2)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.41
CYP1A2 P05177 1/20 0.38
NISCH Q9Y2I1 1/20 0.36
PDGFRB P09619 2/20 0.35
PDGFRA P16234 2/20 0.35
MGAM O43451 1/20 0.35
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR3A P46098 1/20 0.34
CYP2A6 P11509 1/20 0.33
KDR P35968 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
XBP1 P17861 1/20 0.33
RAB9A P51151 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
SCHEMBL3325024 0.78 KDM1A (0.43) SLC6A4KDM1AMAOAMAOBKDM4E
SCHEMBL22345616 0.73 PRCP (0.43) KDM1AALDH1A1KDM4E
SCHEMBL31072716 0.73 PRCP (0.43) KDM1AALDH1A1KDM4E
SCHEMBL4531025 0.73 SLC6A4 (0.39) SLC6A4CYP1A2PDGFRBPDGFRAMGAM
SCHEMBL2527124 0.72 CYP1A2 (0.47) SLC6A4CYP1A2NISCHPDGFRBPDGFRA
SCHEMBL31606548 0.71 TP53 (0.43) CYP1A2CHRNB2CHRNA4ALDH1A1KDM4E
SCHEMBL6685944 0.70 AOC3 (0.36) SLC6A4ALDH1A1CYP2A6KDM4ENPC1
SCHEMBL17785558 0.69 KDM4E (0.56) SLC6A4CYP1A2NISCHPDGFRBPDGFRA
SCHEMBL18903070 0.69 NISCH (0.33) CYP1A2NISCH
SCHEMBL28717154 0.68 PRCP (0.49) SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3150069-B1 PLANT DISEASE CONTROL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASE BY APPLYING THE SAME MITSUI CHEMICALS AGRO INC (JP) 2019-07-17 EP disclosed
EP-2517562-B1 PLANT DISEASE CONTROL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES BY APPLYING THE COMPOSITION MITSUI CHEMICALS AGRO INC (JP) 2017-01-25 EP disclosed
EP-2711361-B1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE NIPPON SODA CO (JP) 2016-06-29 EP disclosed
US-9060517-B2 Nitrogenated heterocyclic compound and agricultural or horticultural fungicide NIPPON SODA CO., LTD. (JP) 2015-06-23 US disclosed
US-8729093-B2 Soil treating agent or seed treating agent comprising quinoline compounds or salts thereof as active ingredient, or method for preventing plant diseases by using the same MITSUI CHEMICALS AGRO, INC. (JP) 2014-05-20 US disclosed
EP-2711361-A1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE Nippon Soda Co., Ltd. (JP) 2014-03-26 EP disclosed
US-20140073792-A1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE NIPPON SODA CO., LTD. (JP) 2014-03-13 US disclosed
EP-1736471-B1 3-(DIHYDRO(TETRAHYDRO)ISOQUINOLIN-1-YL)QUINOLINES MITSUI CHEMICALS AGRO INC (JP) 2014-01-08 EP disclosed
EP-2103214-B1 USE OF QUINOLINE COMPOUNDS OR SALTS THEREOF AS ACTIVE INGREDIENTS IN SOIL- OR SEED-TREATING AGENTS AND METHOD FOR CONTROL OF PLANT DISEASE MITSUI CHEMICALS AGRO INC (JP) 2013-10-23 EP disclosed
CN-101562975-B Soil treatment agent or seed treatment agent containing quinoline compound or salt thereof as active ingredient, and method for controlling plant disease using same SANKYO AGRO CO LTD 2013-10-23 CN disclosed
US-20090325998-A1 SOIL TREATING AGENT OR SEED TREATING AGENT COMPRISING QUINOLINE COMPOUNDS OR SALTS THEREOF AS ACTIVE INGREDIENT,OR METHOD FOR PREVENTING PLANT DISEASES BY USING THE SAME MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2009-12-31 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
CN-101562975-A Soil treatment agent or seed treatment agent containing quinoline compound or salt thereof as active ingredient, and method for controlling plant disease using same SANKYO AGRO CO LTD (JP) 2009-10-21 CN disclosed
EP-2103214-A1 SOIL- OR SEED-TREATING AGENT COMPRISING QUINOLINE COMPOUND OR SALT THEREOF AS ACTIVE INGREDIENT, OR METHOD FOR CONTROL OF PLANT DISEASE USING THE SAME Sankyo Agro Company, Limited (JP) 2009-09-23 EP 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 (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-20080275242-A1 3-(Dihydro(Tetrahydro)Isoquinolin-1-Yl)Quinoline Compound QTRT1, RABL3, RECQL SLC6A4 3640/4885CYP1A2 171/4885NISCH 2053/4885
US-20140073792-A1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE CBR3, CBR1, NOX3 SLC6A4 3425/4885CYP1A2 58/4885NISCH 986/4885
US-20090325998-A1 SOIL TREATING AGENT OR SEED TREATING AGENT COMPRISING QUINOLINE COMPOUNDS OR SALTS THEREOF AS ACTIVE INGREDIENT,OR METHOD FOR PREVENTING PLANT DISEASES BY USING THE SAME RABL3, H1-3, RECQL SLC6A4 2860/4885CYP1A2 365/4885NISCH 1890/4885

“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.