SCHEMBL505537

SCHEMBL505537

N#Cc1cccc(-c2nc3c(o2)CNC3)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
MAOB P27338 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA5 P30532 1/20 0.42
CHRNA4 P43681 1/20 0.42
GRM5 P41594 5/20 0.41
CLK4 Q9HAZ1 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
IDO1 P14902 2/20 0.40
PGR P06401 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
XDH P47989 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL504510 0.90 GRM5 (0.44) NOTUMMAOBCHRNB2CHRNA5CHRNA4
SCHEMBL504615 0.90 NOTUM (0.44) NOTUMMAOBCHRNB2CHRNA5CHRNA4
Hydrochloric Acid SCHEMBL30889380 0.76 NPC1 (0.44) NOTUMGRM5GPR119NPC1ALDH1A1
SCHEMBL30785595 0.73 NOTUM (0.43) NOTUMMAOBGRM5GPR119
SCHEMBL504865 0.73 GRM5 (0.74) NOTUMGRM5GPR119
SCHEMBL3610229 0.72 NOTUM (0.67) NOTUMMAOBCHRNB2CHRNA5CHRNA4
SCHEMBL503965 0.72 GRM5 (0.72) NOTUMGRM5
SCHEMBL506119 0.72 DRD2 (0.41) NOTUMCHRNB2CHRNA5CHRNA4GRM5
SCHEMBL505191 0.72 GPR119 (0.42) NOTUMCHRNB2CHRNA5CHRNA4GRM5
SCHEMBL504657 0.71 GRM5 (0.57) GRM5CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US 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-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 NOTUM 3205/4885MAOB 1620/4885CHRNB2 193/4885

“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.