SCHEMBL4510196

SCHEMBL4510196

Cc1cccc2cc(C3=NC(C)(C)Cc4c(F)cccc43)cnc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GRIN2B Q13224 11/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
ABCB1 P08183 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ABL1 P00519 1/20 0.31
ALKBH5 Q6P6C2 1/20 0.31
FTO Q9C0B1 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL21295278 0.92 ABCB1 (0.37) ALDH1A1KDM4EGRIN2BMEN1KMT2A
SCHEMBL29433011 0.92 ABCB1 (0.37) ALDH1A1KDM4EGRIN2BMEN1KMT2A
SCHEMBL23265459 0.91 ALDH1A1 (0.46) ALDH1A1KDM4EGRIN2BMEN1KMT2A
SCHEMBL23265497 0.91 ALDH1A1 (0.50) ALDH1A1KDM4EGRIN2BMEN1KMT2A
SCHEMBL23265369 0.89 ALDH1A1 (0.36) ALDH1A1KDM4EGRIN2BMEN1KMT2A
SCHEMBL23265364 0.87 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL23265495 0.87 KDM4E (0.34) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL23265367 0.87 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL4512861 0.86 HPGDS (0.40) KDM4ESMN1; SMN2
SCHEMBL23266054 0.85 ABCB1 (0.37) ALDH1A1KDM4EGRIN2BMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021074309-A1 1-(3-QUINOLYL)-3,4-DIHYDROISOQUINOLINE DERIVATIVES AS FUNGICIDES FOR COMBATING SPECIFIC PHYTOPATHOGENS SYNGENTA CROP PROTECTION AG (CH) 2021-04-22 WO 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
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 ALDH1A1 1185/4885KDM4E 1830/4885GRIN2B 1901/4885

“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.