SCHEMBL504968

SCHEMBL504968

Fc1ccc(C2Cc3nc(-c4ccccn4)oc3C2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.40
NPC1 O15118 4/20 0.39
TP53 P04637 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
KCNH2 Q12809 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PKM P14618 2/20 0.34
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
CBFB Q13951 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL505188 0.91 GRM5 (0.42) GRM5NPC1TP53RAB9ASMN1; SMN2
SCHEMBL504936 0.91 GRM5 (0.42) GRM5NPC1TP53RAB9ASMN1; SMN2
SCHEMBL505371 0.91 GRM5 (0.42) GRM5NPC1TP53RAB9ASMN1; SMN2
SCHEMBL504935 0.91 GRM5 (0.42) GRM5NPC1TP53RAB9ASMN1; SMN2
SCHEMBL505365 0.89 GRM5 (0.44) GRM5NPC1TP53RAB9ASMN1; SMN2
SCHEMBL505233 0.89 GRM5 (0.41) GRM5NPC1TP53RAB9ASMN1; SMN2
SCHEMBL10250598 0.87 TP53 (0.47) GRM5NPC1TP53RAB9ASMN1; SMN2
SCHEMBL505112 0.86 GRM5 (0.44) GRM5NPC1TP53RAB9ASMN1; SMN2
SCHEMBL506121 0.85 GRM5 (0.43) GRM5NPC1TP53RAB9ASMN1; SMN2
SCHEMBL7877436 0.79 GRM5 (0.43) GRM5NPC1TP53RAB9ASMN1; 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 4 patents. 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
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

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 1427/4885TP53 4586/4885

“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.