SCHEMBL505085

SCHEMBL505085

Clc1cccc(-c2nc3c(o2)CCC(c2cnccn2)C3)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.38
TP53 P04637 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TSHR P16473 2/20 0.38
MITF O75030 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
PIM1 P11309 1/20 0.37
TERT O14746 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 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
SCHEMBL505082 0.87 NPC1 (0.45) GRM5TP53SMN1; SMN2NPC1RAB9A
SCHEMBL505795 0.87 GPR119 (0.41) GRM5TP53SMN1; SMN2NPC1RAB9A
SCHEMBL505629 0.84 KDM4E (0.40) TP53SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL505062 0.81 ADRA1A (0.44) GRM5NPC1RAB9ATSHRPKM
SCHEMBL505730 0.81 NAMPT (0.38) GRM5NPC1RAB9ATERTALDH1A1
SCHEMBL10252100 0.81 NPC1 (0.35) GRM5TP53SMN1; SMN2NPC1RAB9A
SCHEMBL7877183 0.80 GPR119 (0.36) GRM5TP53SMN1; SMN2NPC1RAB9A
SCHEMBL7881578 0.80 GPR119 (0.36) GRM5TP53SMN1; SMN2NPC1RAB9A
SCHEMBL10250549 0.80 TP53 (0.45) TP53SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL505548 0.80 ALOX15 (0.45) GRM5TP53SMN1; SMN2NPC1RAB9A

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 1/4885TP53 4586/4885SMN1; SMN2 184/4885

“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.