SCHEMBL4512647

SCHEMBL4512647

Cc1nc2ccccc2cc1C1=NC(C)(C)Cc2c(F)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MBNL1 Q9NR56 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ LMNA P02545 3/20 0.39
▸ KDM4E B2RXH2 6/20 0.38
▸ HPGD P15428 3/20 0.35
▸ STAT3 P40763 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PSMB5 P28074 2/20 0.32
▸ NPC1 O15118 2/20 0.32

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
SCHEMBL4508416 0.81 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL20301312 0.81 ALDH1A1 (0.36) MBNL1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL20300887 0.81 ALDH1A1 (0.38) MBNL1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4405493 0.80 AKR1C3 (0.43) MBNL1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL29678248 0.80 AKR1C3 (0.43) MBNL1ALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL4510693 0.79 AKR1C3 (0.43) MBNL1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4522909 0.79 MBNL1 (0.45) MBNL1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL20301023 0.79 CYP1A2 (0.36) MBNL1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL29380350 0.76 KDM4E (0.40) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL20300921 0.76 KDM4E (0.39) MBNL1ALDH1A1SMN1; SMN2MEN1KMT2A

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 MBNL1 2318/4885ALDH1A1 1185/4885SMN1; SMN2 3685/4885

“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.

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