SCHEMBL4523223

SCHEMBL4523223

COC(=O)c1cccc2c1CC(C)(C)N=C2c1cnc2c(OC)cccc2c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.43
PARP1 P09874 2/20 0.39
ALDH1A1 P00352 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HCAR2 Q8TDS4 1/20 0.35
PSMD14 O00487 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4521846 0.91 LMNA (0.43) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL4512861 0.83 HPGDS (0.40) HPGDSPARP1SLC6A3KDM4E
SCHEMBL4518567 0.80 LMNA (0.44) HPGDSALDH1A1MAPTKDM4EKMT2A
SCHEMBL4527360 0.74 NR2F2 (0.40) HPGDS
SCHEMBL4518092 0.73 HSP90AA1 (0.45) PARP1
SCHEMBL23265497 0.73 ALDH1A1 (0.50) PARP1ALDH1A1PSMD14KDM4EMEN1
SCHEMBL23265373 0.72 ABCB1 (0.33) HPGDSPARP1ALDH1A1KDM4EMEN1
SCHEMBL4524032 0.70 MAP4K4 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL4524035 0.70 MAP4K4 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL4526637 0.70 MAP4K4 (0.40) ALDH1A1KDM4EMEN1KMT2A

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 HPGDS 4660/4885PARP1 1368/4885ALDH1A1 1185/4885

“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.