SCHEMBL505814

SCHEMBL505814

c1ccc(-c2nc3c(o2)CCC(c2nccs2)C3)nc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.46
NPC1 O15118 7/20 0.37
RAB9A P51151 7/20 0.37
TP53 P04637 6/20 0.37
SMN1; SMN2 Q16637 6/20 0.37
HSD17B10 Q99714 5/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PKM P14618 2/20 0.33
PSMB8 P28062 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.32
POLB P06746 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
SCHEMBL505824 0.91 GRM5 (0.43) GRM5NPC1RAB9ATP53SMN1; SMN2
SCHEMBL505305 0.83 GRM5 (0.51) GRM5NPC1RAB9ATP53SMN1; SMN2
SCHEMBL505018 0.83 GRM5 (0.51) GRM5NPC1RAB9ATP53SMN1; SMN2
SCHEMBL505165 0.82 GRM5 (0.53) GRM5NPC1RAB9ATP53SMN1; SMN2
SCHEMBL505427 0.79 GRM5 (0.47) GRM5NPC1RAB9ATP53SMN1; SMN2
SCHEMBL505565 0.78 GRM5 (0.46) GRM5NPC1RAB9ATP53SMN1; SMN2
SCHEMBL504732 0.78 GRM5 (0.46) GRM5NPC1RAB9ATP53SMN1; SMN2
SCHEMBL504733 0.78 GRM5 (0.46) GRM5NPC1RAB9ATP53SMN1; SMN2
SCHEMBL10250369 0.77 GRM5 (0.46) GRM5NPC1RAB9ATP53SMN1; SMN2
SCHEMBL505402 0.77 GRM5 (0.46) GRM5NPC1RAB9ATP53SMN1; SMN2

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-2414340-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-02-08 EP disclosed
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
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
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
WO-2010114971-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-10-07 WO disclosed
WO-2010114971-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-10-07 WO 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 GRM5 1/4885NPC1 1427/4885RAB9A 1722/4885

“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.