SCHEMBL15944503

SCHEMBL15944503

Cc1ccc2cc(C3=NC(C)(C)Cc4ccccc43)cnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
LMNA P02545 5/20 0.44
KDM4E B2RXH2 4/20 0.43
MAPT P10636 4/20 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
ATM Q13315 1/20 0.43
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
PKM P14618 1/20 0.38
HTT P42858 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 2/20 0.36
CYP2D6 P10635 1/20 0.36
MEN1 O00255 1/20 0.35
TSHR P16473 2/20 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
SCHEMBL15910480 0.88 LMNA (0.44) ALDH1A1LMNAKDM4EMAPTSMN1; SMN2
SCHEMBL4522982 0.88 LMNA (0.50) ALDH1A1LMNAKDM4EMAPTSMN1; SMN2
SCHEMBL15910479 0.87 LMNA (0.43) ALDH1A1LMNAKDM4EMAPTSMN1; SMN2
SCHEMBL15910549 0.87 LMNA (0.45) ALDH1A1LMNAKDM4EMAPTSMN1; SMN2
SCHEMBL4531880 0.86 CYP1A2 (0.42) ALDH1A1LMNAKDM4EMAPTSMN1; SMN2
SCHEMBL4533531 0.86 CYP1A2 (0.42) ALDH1A1LMNAKDM4EMAPTSMN1; SMN2
SCHEMBL15910667 0.85 PDGFRB (0.48) ALDH1A1LMNAKDM4EMAPTSMN1; SMN2
SCHEMBL15910477 0.85 PSMB5 (0.53) ALDH1A1LMNAKDM4EMAPTSMN1; SMN2
SCHEMBL4507229 0.80 LMNA (0.43) ALDH1A1LMNAKDM4EMAPTSMN1; SMN2
SCHEMBL15910585 0.80 LMNA (0.43) ALDH1A1LMNAKDM4EMAPTSMN1; SMN2

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 ALDH1A1 186/4885LMNA 3015/4885KDM4E 3074/4885
US-20140228576-A1 METHOD FOR PRODUCING 3,4-DIHYDROISOQUINOLINE DERIVATIVES AND PRODUCTION INTERMEDIATES OF SAME SDHA, NDUFS3, GOT2 ALDH1A1 186/4885LMNA 3015/4885KDM4E 3074/4885

“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.