SCHEMBL4533085

SCHEMBL4533085

CC1(C)N=C(c2cnc3ccccc3c2)c2cc(Cl)ccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2F2 P24468 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
TDP2 O95551 1/20 0.41
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
BRD4 O60885 2/20 0.39
CREBBP Q92793 2/20 0.39
TMPRSS4 Q9NRS4 1/20 0.38
PDGFRB P09619 2/20 0.38
PDGFRA P16234 2/20 0.38
SERPINE1 P05121 1/20 0.38
MAP4K4 O95819 1/20 0.38
CSNK1G2 P78368 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
MAP4K5 Q9Y4K4 1/20 0.38
TOP2A P11388 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
SCHEMBL4519131 0.88 NR2F2 (0.47) NR2F2PARP10PARP11TDP2AKR1C3
SCHEMBL4510805 0.87 NR2F2 (0.43) NR2F2PARP10PARP11TDP2AKR1C3
SCHEMBL4529348 0.86 BIRC5 (0.47) NR2F2PARP10PARP11TDP2AKR1C3
SCHEMBL4510188 0.82 NR2F2 (0.43) NR2F2PARP10PARP11TDP2AKR1C3
SCHEMBL4520655 0.81 BIRC5 (0.47) NR2F2PARP10PARP11TDP2AKR1C3
SCHEMBL4506496 0.81 NR2F2 (0.42) NR2F2PARP10PARP11CNR1CNR2
SCHEMBL4528218 0.78 CNR1 (0.40) NR2F2PARP10PARP11CNR1CNR2
SCHEMBL4530813 0.78 TDP2 (0.39) NR2F2PARP10PARP11CNR1CNR2
SCHEMBL4530771 0.77 TDP2 (0.41) NR2F2PARP10PARP11CNR1CNR2
SCHEMBL4527844 0.77 TDP2 (0.41) NR2F2PARP10PARP11CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-100556904-C 3- (dihydro (tetrahydro) isoquinolin-1-yl) quinoline compounds SANKYO AGRO CO LTD (JP) 2009-11-04 CN disclosed
US-20080275242-A1 3-(Dihydro(Tetrahydro)Isoquinolin-1-Yl)Quinoline Compound MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2008-11-06 US disclosed
CN-1910172-A 3- (dihydro (tetrahydro) isoquinolin-1-yl) quinoline compounds SANKYO AGRO CO LTD (JP) 2007-02-07 CN 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 NR2F2 2146/4885PARP10 1935/4885PARP11 588/4885

“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.