SCHEMBL4530771

SCHEMBL4530771

CC1(C)Cc2cc(Cl)ccc2C(c2cnc3ccccc3c2)=N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.41
NR2F2 P24468 1/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
PDGFRB P09619 4/20 0.38
PDGFRA P16234 4/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP11 Q9NR21 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALPL P05186 1/20 0.37
CYP2A6 P11509 1/20 0.36
NISCH Q9Y2I1 1/20 0.36

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
SCHEMBL4527844 0.91 TDP2 (0.41) TDP2NR2F2AKR1C3AKR1C2ALDH1A1
SCHEMBL4521246 0.87 AKR1C3 (0.44) TDP2NR2F2AKR1C3AKR1C2ALDH1A1
SCHEMBL4533531 0.87 CYP1A2 (0.42) TDP2NR2F2AKR1C3AKR1C2ALDH1A1
SCHEMBL4522982 0.87 LMNA (0.50) TDP2NR2F2AKR1C3AKR1C2ALDH1A1
SCHEMBL4526559 0.86 BIRC5 (0.47) TDP2NR2F2AKR1C3AKR1C2ALDH1A1
SCHEMBL4507229 0.86 LMNA (0.43) TDP2ALDH1A1LMNAPDGFRBPDGFRA
SCHEMBL4524707 0.84 PDGFRB (0.40) TDP2NR2F2AKR1C3AKR1C2ALDH1A1
SCHEMBL4522211 0.83 TDP2 (0.39) TDP2NR2F2AKR1C3AKR1C2ALDH1A1
SCHEMBL4530992 0.83 NR2F2 (0.39) TDP2NR2F2AKR1C3AKR1C2ALDH1A1
SCHEMBL20300994 0.81 LMNA (0.38) TDP2ALDH1A1LMNAKDM4EMAPT

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 TDP2 1584/4885NR2F2 2146/4885AKR1C3 1232/4885

“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.