SCHEMBL4522909

SCHEMBL4522909

Cc1nc2ccccc2cc1C1=NC(C)(C)C(C)(C)c2c(F)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MBNL1 Q9NR56 1/20 0.45
▸ STAT3 P40763 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ PDE10A Q9Y233 5/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ MAPT P10636 4/20 0.34
▸ PDE2A O00408 4/20 0.34
▸ HTT P42858 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PSMB5 P28074 2/20 0.34
▸ KMT2A Q03164 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ TP53 P04637 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33

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
SCHEMBL23363335 0.88 MBNL1 (0.43) MBNL1KDM4EALDH1A1HPGDPDE10A
SCHEMBL20301236 0.80 MBNL1 (0.39) MBNL1KDM4EALDH1A1PDE10ASMN1; SMN2
SCHEMBL4512647 0.79 MBNL1 (0.42) MBNL1STAT3KDM4EALDH1A1HPGD
SCHEMBL15560843 0.79 PDE10A (0.40) MBNL1KDM4EALDH1A1PDE10ASMN1; SMN2
SCHEMBL29352004 0.79 AKR1C3 (0.41) MBNL1MAPTNPC1RAB9A
SCHEMBL318061 0.79 AKR1C3 (0.41) MBNL1MAPTNPC1RAB9A
SCHEMBL4532305 0.78 MBNL1 (0.41) MBNL1STAT3KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL4531372 0.78 AKR1C3 (0.41) MBNL1MAPTNPC1RAB9A
SCHEMBL29709839 0.74 KDR (0.45) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL20300655 0.74 NPC1 (0.47) ALDH1A1POLBNPC1RAB9ABACE1

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 2318/4885STAT3 4790/4885KDM4E 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.

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