SCHEMBL4530991

SCHEMBL4530991

CC1(C)Cc2ccccc2C(c2cnc3c(F)cccc3c2)=N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 6/20 0.43
SMN1; SMN2 Q16637 3/20 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
MAPT P10636 1/20 0.43
MPI P34949 1/20 0.43
ATM Q13315 1/20 0.43
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 3/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.37
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 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
SCHEMBL29433011 0.87 ABCB1 (0.37) LMNAALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL21295278 0.87 ABCB1 (0.37) LMNAALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL15910484 0.87 LMNA (0.46) LMNAALDH1A1KDM4ESMN1; SMN2APAF1
SCHEMBL4517075 0.87 LMNA (0.46) LMNAALDH1A1KDM4ESMN1; SMN2APAF1
SCHEMBL4518809 0.86 KDM4E (0.51) LMNAALDH1A1KDM4ESMN1; SMN2APAF1
SCHEMBL23265368 0.85 ABCB1 (0.35) LMNAALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL23265459 0.84 ALDH1A1 (0.46) LMNAALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL4518567 0.84 LMNA (0.44) LMNAALDH1A1KDM4ESMN1; SMN2APAF1
SCHEMBL20301212 0.84 LMNA (0.46) LMNAALDH1A1KDM4ESMN1; SMN2APAF1
SCHEMBL23265365 0.83 ABCB1 (0.35) LMNAALDH1A1KDM4ESMN1; SMN2KMT2A

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.