SCHEMBL1971785

SCHEMBL1971785

O=C(Nc1ccc(N2C(=O)c3ccc(Br)cc3C2=O)cc1)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 7/20 0.57
GRM1 Q13255 1/20 0.57
NPC1 O15118 1/20 0.54
MAPT P10636 1/20 0.54
PKM P14618 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
KLF5 Q13887 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GRM5 P41594 2/20 0.53
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
STAT3 P40763 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SCN2A Q99250 1/20 0.48
GAA P10253 1/20 0.47
KDR P35968 1/20 0.47

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
SCHEMBL12037576 0.88 GRM4 (0.63) GRM4GRM1NPC1MAPTPKM
SCHEMBL1973785 0.88 GRM4 (0.67) GRM4GRM1NPC1MAPTPKM
SCHEMBL1975117 0.86 KDR (0.59) GRM4GRM1NPC1MAPTPKM
SCHEMBL1972704 0.86 GRM4 (0.57) GRM4GRM1NPC1MAPTPKM
SCHEMBL20990144 0.78 NPC1 (0.67) GRM4NPC1MAPTPKMHTT
SCHEMBL1973867 0.76 GRM4 (0.73) GRM4GRM1NPC1MAPTPKM
SCHEMBL1971521 0.76 GRM4 (0.73) GRM4GRM1NPC1MAPTPKM
SCHEMBL12037581 0.75 GRM4 (0.55) GRM4GRM1NPC1MAPTPKM
SCHEMBL15614028 0.74 POLB (0.69) RAB9AMEN1KMT2ASCN2AGAA
SCHEMBL19176361 0.74 ESR1 (0.62) NPC1MAPTPKMRAB9AESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110318266-A1 PHTHALIMIDE DERIVATIVE METABOTROPIC GLUTAMATE R4 LIGANDS MERCK SHARP & DOHME CORP. 2011-12-29 US claimed
EP-2334181-A1 PHTHALIMIDE DERIVATIVE METABOTROPIC GLUTAMATE R4 LIGANDS Merck Sharp & Dohme Corp. (US) 2011-06-22 EP claimed
WO-2010033349-A1 PHTHALIMIDE DERIVATIVE METABOTROPIC GLUTAMATE R4 LIGANDS MERCK & CO., INC. (US) 2010-03-25 WO claimed
US-20110318266-A1 PHTHALIMIDE DERIVATIVE METABOTROPIC GLUTAMATE R4 LIGANDS MERCK SHARP & DOHME CORP. 2011-12-29 US disclosed
US-20110318266-A1 PHTHALIMIDE DERIVATIVE METABOTROPIC GLUTAMATE R4 LIGANDS MERCK SHARP & DOHME CORP. 2011-12-29 US disclosed
US-20110318266-A1 PHTHALIMIDE DERIVATIVE METABOTROPIC GLUTAMATE R4 LIGANDS MERCK SHARP & DOHME CORP. 2011-12-29 US disclosed
EP-2334181-A1 PHTHALIMIDE DERIVATIVE METABOTROPIC GLUTAMATE R4 LIGANDS Merck Sharp & Dohme Corp. (US) 2011-06-22 EP disclosed
WO-2010033349-A1 PHTHALIMIDE DERIVATIVE METABOTROPIC GLUTAMATE R4 LIGANDS MERCK & CO., INC. (US) 2010-03-25 WO disclosed
WO-2010033349-A1 PHTHALIMIDE DERIVATIVE METABOTROPIC GLUTAMATE R4 LIGANDS MERCK & CO., INC. (US) 2010-03-25 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-20110318266-A1 PHTHALIMIDE DERIVATIVE METABOTROPIC GLUTAMATE R4 LIGANDS GRM4, GRIA4, GRM1 GRM4 1/4885GRM1 3/4885NPC1 2657/4885

“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.