SCHEMBL4521707

SCHEMBL4521707

ClCC1(CCl)Cc2ccccc2C(c2cnc3ccccc3c2)=N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.40
PDGFRB P09619 4/20 0.40
PDGFRA P16234 4/20 0.40
CYP2A6 P11509 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
BIRC5 O15392 1/20 0.37
NR2F2 P24468 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BRD4 O60885 2/20 0.36
CREBBP Q92793 2/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CYP1A2 P05177 1/20 0.34
MAP4K4 O95819 1/20 0.34

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
SCHEMBL4523165 0.88 SMN1; SMN2 (0.48) TDP2PDGFRBPDGFRACYP2A6NISCH
SCHEMBL4517000 0.86 NR2F2 (0.40) TDP2PDGFRBPDGFRACYP2A6NISCH
SCHEMBL4524124 0.86 SMN1; SMN2 (0.39) TDP2PDGFRBPDGFRACYP2A6NISCH
SCHEMBL4517215 0.83 CNR1 (0.36) TDP2PDGFRBPDGFRACYP2A6NISCH
SCHEMBL4523264 0.82 NPC1 (0.40) TDP2PDGFRBPDGFRACYP2A6NISCH
SCHEMBL4517457 0.82 SMN1; SMN2 (0.41) TDP2PDGFRBPDGFRACYP2A6NISCH
SCHEMBL4522982 0.81 LMNA (0.50) TDP2PDGFRBPDGFRACYP2A6NISCH
SCHEMBL4524014 0.80 NR2F2 (0.41) TDP2PDGFRBPDGFRACYP2A6NISCH
SCHEMBL4523901 0.79 PDGFRB (0.40) TDP2PDGFRBPDGFRACYP2A6NISCH
SCHEMBL4521615 0.79 NR2F2 (0.40) TDP2PDGFRBPDGFRACYP2A6NISCH

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 TDP2 1584/4885PDGFRB 4549/4885PDGFRA 4233/4885

“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.