SCHEMBL15944504

SCHEMBL15944504

COc1cc(C)cc2ncc(C3=NC(C)(C)Cc4ccccc43)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
APAF1 O14727 1/20 0.40
MITF O75030 1/20 0.40
TDP2 O95551 1/20 0.40
NSD2 O96028 1/20 0.40
MPI P34949 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 4/20 0.39
GAA P10253 2/20 0.39
PSMB5 P28074 1/20 0.38
ALDH1A1 P00352 5/20 0.38
PDGFRB P09619 3/20 0.37
PDGFRA P16234 3/20 0.37
HPGD P15428 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37

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
SCHEMBL15910504 0.89 KDM4E (0.50) KDM4EMAPTSMN1; SMN2APAF1MITF
SCHEMBL15910477 0.87 PSMB5 (0.53) KDM4EMAPTSMN1; SMN2APAF1MITF
SCHEMBL18425278 0.80 KDM4E (0.44) KDM4EMAPTSMN1; SMN2APAF1MITF
SCHEMBL29675206 0.80 KDM4E (0.44) KDM4EMAPTSMN1; SMN2APAF1MITF
SCHEMBL15944503 0.79 ALDH1A1 (0.44) KDM4EMAPTSMN1; SMN2APAF1MITF
SCHEMBL15910667 0.76 PDGFRB (0.48) KDM4EMAPTSMN1; SMN2APAF1MITF
SCHEMBL4518567 0.76 LMNA (0.44) KDM4EMAPTSMN1; SMN2APAF1MITF
SCHEMBL4522982 0.76 LMNA (0.50) KDM4EMAPTSMN1; SMN2APAF1MITF
SCHEMBL2905923 0.75 KDM4E (0.49) KDM4EMAPTSMN1; SMN2APAF1MITF
SCHEMBL15910549 0.75 LMNA (0.45) KDM4EMAPTSMN1; SMN2APAF1MITF

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
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-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-20140228576-A1 METHOD FOR PRODUCING 3,4-DIHYDROISOQUINOLINE DERIVATIVES AND PRODUCTION INTERMEDIATES OF SAME MITSUI CHEMICALS AGRO, INC. (JP) 2014-08-14 US 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 (2 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 KDM4E 3074/4885MAPT 3666/4885SMN1; SMN2 4286/4885
US-20140228576-A1 METHOD FOR PRODUCING 3,4-DIHYDROISOQUINOLINE DERIVATIVES AND PRODUCTION INTERMEDIATES OF SAME SDHA, NDUFS3, GOT2 KDM4E 3074/4885MAPT 3666/4885SMN1; SMN2 4286/4885

“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.