SCHEMBL4530670

SCHEMBL4530670

Cc1ccc2c(c1)C(c1cnc3ccccc3c1)=NC1(CCCCC1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
TDP2 O95551 1/20 0.39
NR2F2 P24468 1/20 0.36
PDGFRB P09619 3/20 0.36
PDGFRA P16234 3/20 0.36
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
HTR3A P46098 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
CYP2A6 P11509 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
BIRC5 O15392 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 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
SCHEMBL4525297 0.91 ALDH1A1 (0.39) NPC1ALDH1A1MAPTRAB9ACYP1A2
SCHEMBL4524091 0.88 NPC1 (0.40) NPC1MAPTRAB9ATDP2NR2F2
SCHEMBL4521786 0.88 TDP2 (0.40) ALDH1A1TDP2NR2F2PDGFRBPDGFRA
SCHEMBL4526682 0.88 TDP2 (0.40) ALDH1A1TDP2NR2F2PDGFRBPDGFRA
SCHEMBL4513546 0.87 TDP2 (0.39) TDP2NR2F2PDGFRBPDGFRAPARP10
SCHEMBL4521931 0.87 NPC1 (0.41) NPC1MAPTRAB9ATDP2NR2F2
SCHEMBL4523901 0.86 PDGFRB (0.40) ALDH1A1TDP2NR2F2PDGFRBPDGFRA
SCHEMBL4531880 0.84 CYP1A2 (0.42) NPC1ALDH1A1MAPTRAB9ACYP1A2
SCHEMBL4530842 0.81 AKR1C3 (0.42) NPC1MAPTRAB9ATDP2NR2F2
SCHEMBL4522226 0.80 PARP10 (0.38) ALDH1A1CYP1A2TDP2NR2F2PDGFRB

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 NPC1 1802/4885ALDH1A1 1185/4885MAPT 4104/4885

“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.