SCHEMBL4523264

SCHEMBL4523264

Fc1ccc(C2(CCl)Cc3ccccc3C(c3cnc4ccccc4c3)=N2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
CNR2 P34972 6/20 0.36
TDP2 O95551 1/20 0.35
PDGFRB P09619 3/20 0.34
PDGFRA P16234 3/20 0.34
CNR1 P21554 4/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
FAAH O00519 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
CYP2A6 P11509 1/20 0.33
NR2F2 P24468 1/20 0.32
BIRC5 O15392 1/20 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
SCHEMBL4517215 0.91 CNR1 (0.36) NPC1RAB9AAKR1C3AKR1C2CNR2
SCHEMBL4521707 0.82 TDP2 (0.40) AKR1C3AKR1C2TDP2PDGFRBPDGFRA
SCHEMBL4410461 0.82 NPC1 (0.42) NPC1MAPTRAB9AAKR1C3AKR1C2
SCHEMBL29919667 0.82 NPC1 (0.42) NPC1MAPTRAB9AAKR1C3AKR1C2
SCHEMBL4517000 0.78 NR2F2 (0.40) NPC1MAPTRAB9AAKR1C3AKR1C2
SCHEMBL4523165 0.76 SMN1; SMN2 (0.48) NPC1MAPTRAB9ATDP2PDGFRB
SCHEMBL4522982 0.74 LMNA (0.50) MAPTAKR1C3AKR1C2TDP2PDGFRB
SCHEMBL4524124 0.74 SMN1; SMN2 (0.39) NPC1MAPTRAB9AAKR1C3AKR1C2
SCHEMBL4522202 0.74 NR2F2 (0.38) NPC1MAPTRAB9AAKR1C3AKR1C2
SCHEMBL29919748 0.74 NR2F2 (0.38) NPC1MAPTRAB9AAKR1C3AKR1C2

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 6 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
CN-100556904-C 3- (dihydro (tetrahydro) isoquinolin-1-yl) quinoline compounds SANKYO AGRO CO LTD (JP) 2009-11-04 CN disclosed
US-20080275242-A1 3-(Dihydro(Tetrahydro)Isoquinolin-1-Yl)Quinoline Compound MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2008-11-06 US disclosed
CN-1910172-A 3- (dihydro (tetrahydro) isoquinolin-1-yl) quinoline compounds SANKYO AGRO CO LTD (JP) 2007-02-07 CN 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 1802/4885MAPT 4104/4885RAB9A 90/4885

“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.