SCHEMBL4472466

SCHEMBL4472466

N#Cc1cccc(C2=NC(c3ccc(Cl)cc3)(c3ccc(Cl)cc3)CN2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.52
NPY5R Q15761 2/20 0.46
CLK4 Q9HAZ1 1/20 0.41
BACE1 P56817 2/20 0.39
IDO1 P14902 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNH2 Q12809 1/20 0.37
PSD A5PKW4 2/20 0.37
PGR P06401 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
PRKCQ Q04759 1/20 0.35
MAP4K1 Q92918 1/20 0.35
NOTUM Q6P988 1/20 0.35

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
SCHEMBL4468926 0.96 MAOB (0.49) MAOBNPY5RCLK4BACE1IDO1
SCHEMBL4476470 0.89 MAOB (0.49) MAOBNPY5RCLK4BACE1IDO1
Hydrochloric Acid SCHEMBL4467499 0.88 MAOB (0.48) MAOBNPY5RCLK4BACE1IDO1
SCHEMBL4462845 0.88 NPY5R (0.60) MAOBNPY5RCLK4BACE1KCNH2
SCHEMBL4460021 0.88 MAOB (0.52) MAOBNPY5RCLK4BACE1IDO1
SCHEMBL4474803 0.84 MAOB (0.49) MAOBNPY5RCLK4BACE1IDO1
SCHEMBL4467945 0.84 MAOB (0.49) MAOBNPY5RCLK4BACE1KCNH2
SCHEMBL4479177 0.84 NPY5R (0.57) MAOBNPY5RCLK4BACE1MEN1
SCHEMBL4473094 0.84 MAOB (0.49) MAOBNPY5RCLK4BACE1MEN1
SCHEMBL4461713 0.83 NPY5R (0.56) MAOBNPY5RCLK4BACE1IDO1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064142-B2 Imidazonline compounds BANYU PHARMACEUTICAL, CO., LTD. (JP) 2006-06-20 US claimed
EP-1264826-B1 NOVEL IMIDAZOLINE COMPOUNDS BANYU PHARMA CO LTD (JP) 2005-03-30 EP claimed
US-20030158418-A1 Novel imidazonline compounds MSD K.K. (JP) 2003-08-21 US claimed
EP-1264826-A1 NOVEL IMIDAZOLINE COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP claimed
US-7482358-B2 Imidazoline compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-27 US disclosed
US-20060135559-A1 Novel imidazoline compounds MSD K.K. (JP) 2006-06-22 US disclosed
US-7064142-B2 Imidazonline compounds BANYU PHARMACEUTICAL, CO., LTD. (JP) 2006-06-20 US disclosed
EP-1264826-B1 NOVEL IMIDAZOLINE COMPOUNDS BANYU PHARMA CO LTD (JP) 2005-03-30 EP disclosed
US-20030158418-A1 Novel imidazonline compounds MSD K.K. (JP) 2003-08-21 US disclosed
EP-1264826-A1 NOVEL IMIDAZOLINE COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 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 (2 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-20060135559-A1 Novel imidazoline compounds GPR119, NPY1R, NPY2R MAOB 1890/4885NPY5R 9/4885CLK4 745/4885
US-20030158418-A1 Novel imidazonline compounds NPY1R, NPY2R, GPR119 MAOB 1639/4885NPY5R 4/4885CLK4 978/4885

“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.