SCHEMBL4517075

SCHEMBL4517075

Cc1cccc2cc(C3=NC(C)(C)Cc4ccccc43)cnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.43
ATM Q13315 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
APAF1 O14727 1/20 0.43
MITF O75030 1/20 0.43
TDP2 O95551 1/20 0.43
NSD2 O96028 1/20 0.43
MPI P34949 1/20 0.43
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
PKM P14618 1/20 0.38
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 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
SCHEMBL15910484 0.88 LMNA (0.46) LMNAALDH1A1KDM4EATMMAPT
SCHEMBL4530991 0.87 LMNA (0.46) LMNAALDH1A1KDM4EATMMAPT
SCHEMBL4518809 0.87 KDM4E (0.51) LMNAALDH1A1KDM4EATMMAPT
SCHEMBL23265497 0.87 ALDH1A1 (0.50) LMNAALDH1A1KDM4EATMSMN1; SMN2
SCHEMBL23265367 0.85 ALDH1A1 (0.40) LMNAALDH1A1KDM4EATMSMN1; SMN2
SCHEMBL4518567 0.85 LMNA (0.44) LMNAALDH1A1KDM4EATMMAPT
SCHEMBL23265364 0.83 ALDH1A1 (0.40) LMNAALDH1A1KDM4EATMSMN1; SMN2
SCHEMBL4510196 0.83 ALDH1A1 (0.40) ALDH1A1KDM4EATMSMN1; SMN2KMT2A
SCHEMBL4522982 0.83 LMNA (0.50) LMNAALDH1A1KDM4EATMMAPT
SCHEMBL2905923 0.82 KDM4E (0.49) LMNAALDH1A1KDM4EATMMAPT

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 4 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
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 LMNA 2721/4885ALDH1A1 1185/4885KDM4E 1830/4885

“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.