SCHEMBL6922153

SCHEMBL6922153

CNC(=O)c1ccc(Br)cc1NC(=O)COC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.46
ALDH1A1 P00352 5/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
GAA P10253 1/20 0.42
EGFR P00533 1/20 0.42
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
KDM4C Q9H3R0 1/20 0.41

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
SCHEMBL2040755 0.88 POLB (0.44) HPGDALDH1A1KMT2AKDM4EHSD17B10
SCHEMBL6923286 0.81 F2R (0.45) HPGDALDH1A1LMNAKMT2ANPSR1
SCHEMBL25811369 0.80 KDM4E (0.65) HPGDTSHRALDH1A1LMNAKMT2A
SCHEMBL6921981 0.77 ALDH1A1 (0.41) TSHRALDH1A1LMNAKMT2AKDM4E
SCHEMBL6921811 0.77 NR1H4 (0.43) ALDH1A1LMNAKDM4EHSD17B10SMN1; SMN2
SCHEMBL14249837 0.76 HPGD (0.55) HPGDTSHRALDH1A1LMNAKMT2A
SCHEMBL6920844 0.75 POLB (0.45) HPGDALDH1A1KMT2AKDM4EHSD17B10
SCHEMBL24095724 0.75 MAPK1 (0.69) HPGDALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL6921597 0.74 KDM4E (0.53) ALDH1A1LMNAKMT2AKDM4EHSD17B10
SCHEMBL6920407 0.74 KDM4E (0.38) HPGDTSHRALDH1A1LMNAKMT2A

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-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
WO-2011075699-A2 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-06-23 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 (2 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-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 HPGD 1390/4885TSHR 1410/4885ALDH1A1 1721/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 HPGD 1390/4885TSHR 1410/4885ALDH1A1 1721/4885

“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.