SCHEMBL4518567

SCHEMBL4518567

COc1cccc2cc(C3=NC(C)(C)Cc4ccccc43)cnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGDS O60760 2/20 0.43
KDM4E B2RXH2 5/20 0.42
TP53 P04637 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 4/20 0.41
MITF O75030 2/20 0.41
APAF1 O14727 1/20 0.41
TDP2 O95551 1/20 0.41
NSD2 O96028 1/20 0.41
MPI P34949 1/20 0.41
ATM Q13315 1/20 0.41
GAA P10253 2/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
PKM P14618 1/20 0.38
NTSR1 P30989 1/20 0.38
KMT2A Q03164 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
SCHEMBL4517075 0.85 LMNA (0.46) LMNAALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL15910484 0.85 LMNA (0.46) LMNAALDH1A1KDM4ETP53SMN1; SMN2
SCHEMBL20300878 0.84 DYRK1A (0.47) LMNAALDH1A1KDM4ETP53SMN1; SMN2
SCHEMBL4518809 0.84 KDM4E (0.51) LMNAALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL4530991 0.84 LMNA (0.46) LMNAALDH1A1KDM4ETP53SMN1; SMN2
SCHEMBL4512861 0.84 HPGDS (0.40) LMNAHPGDSKDM4ETP53SMN1; SMN2
SCHEMBL18425278 0.81 KDM4E (0.44) LMNAALDH1A1KDM4ETP53SMN1; SMN2
SCHEMBL29675206 0.81 KDM4E (0.44) LMNAALDH1A1KDM4ETP53SMN1; SMN2
SCHEMBL4523223 0.80 HPGDS (0.43) ALDH1A1HPGDSKDM4EMAPTKMT2A
SCHEMBL4522982 0.80 LMNA (0.50) LMNAALDH1A1KDM4ESMN1; SMN2MAPT

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9499515-B2 Method for producing 3,4-dihydroisoquinoline derivatives and production intermediates of same MITSUI CHEMICALS AGRO, INC. (JP) 2016-11-22 US disclosed
US-9499515-B2 Method for producing 3,4-dihydroisoquinoline derivatives and production intermediates of same MITSUI CHEMICALS AGRO, INC. (JP) 2016-11-22 US disclosed
US-9499515-B2 Method for producing 3,4-dihydroisoquinoline derivatives and production intermediates of same MITSUI CHEMICALS AGRO, INC. (JP) 2016-11-22 US disclosed
EP-2762474-B1 PRODUCTION METHODS FOR 3,4-DIHYDROISOQUINOLINE DERIVATIVES, AND PRODUCTION INTERMEDIATES FOR SAME MITSUI CHEMICALS AGRO INC (JP) 2016-02-24 EP disclosed
EP-2762474-B1 PRODUCTION METHODS FOR 3,4-DIHYDROISOQUINOLINE DERIVATIVES, AND PRODUCTION INTERMEDIATES FOR SAME MITSUI CHEMICALS AGRO INC (JP) 2016-02-24 EP disclosed
US-20160039786-A1 METHOD FOR PRODUCING 3,4-DIHYDROISOQUINOLINE DERIVATIVES AND PRODUCTION INTERMEDIATES OF SAME MITSUI CHEMICALS AGRO, INC. (JP) 2016-02-11 US disclosed
US-20160039786-A1 METHOD FOR PRODUCING 3,4-DIHYDROISOQUINOLINE DERIVATIVES AND PRODUCTION INTERMEDIATES OF SAME MITSUI CHEMICALS AGRO, INC. (JP) 2016-02-11 US disclosed
US-20160039786-A1 METHOD FOR PRODUCING 3,4-DIHYDROISOQUINOLINE DERIVATIVES AND PRODUCTION INTERMEDIATES OF SAME MITSUI CHEMICALS AGRO, INC. (JP) 2016-02-11 US disclosed
US-9193706-B2 Method for producing 3,4-dihydroisoquinoline derivatives and production intermediates of same MITSUI CHEMICALS AGRO, INC. (JP) 2015-11-24 US disclosed
US-9193706-B2 Method for producing 3,4-dihydroisoquinoline derivatives and production intermediates of same MITSUI CHEMICALS AGRO, INC. (JP) 2015-11-24 US disclosed
US-20140228576-A1 METHOD FOR PRODUCING 3,4-DIHYDROISOQUINOLINE DERIVATIVES AND PRODUCTION INTERMEDIATES OF SAME MITSUI CHEMICALS AGRO, INC. (JP) 2014-08-14 US disclosed
US-20140228576-A1 METHOD FOR PRODUCING 3,4-DIHYDROISOQUINOLINE DERIVATIVES AND PRODUCTION INTERMEDIATES OF SAME MITSUI CHEMICALS AGRO, INC. (JP) 2014-08-14 US disclosed
EP-2762474-A1 PRODUCTION METHODS FOR 3,4-DIHYDROISOQUINOLINE DERIVATIVES, AND PRODUCTION INTERMEDIATES FOR SAME Mitsui Chemicals Agro, Inc. (JP) 2014-08-06 EP disclosed
CN-103814022-A Process for producing 3, 4-dihydroisoquinoline derivative and intermediate for producing the same MITSUI CHEMICALS AGRO INC 2014-05-21 CN disclosed
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 (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-20160039786-A1 METHOD FOR PRODUCING 3,4-DIHYDROISOQUINOLINE DERIVATIVES AND PRODUCTION INTERMEDIATES OF SAME SDHA, NDUFS3, GOT2 LMNA 3015/4885ALDH1A1 186/4885HPGDS 859/4885
US-20080275242-A1 3-(Dihydro(Tetrahydro)Isoquinolin-1-Yl)Quinoline Compound QTRT1, RABL3, RECQL LMNA 2721/4885ALDH1A1 1185/4885HPGDS 4660/4885
US-20140228576-A1 METHOD FOR PRODUCING 3,4-DIHYDROISOQUINOLINE DERIVATIVES AND PRODUCTION INTERMEDIATES OF SAME SDHA, NDUFS3, GOT2 LMNA 3015/4885ALDH1A1 186/4885HPGDS 859/4885

“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.