SCHEMBL6923286

SCHEMBL6923286

CNC(=O)c1ccc(Br)cc1NC(=O)CC(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2R P25116 2/20 0.45
PTPN1 P18031 1/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
POLB P06746 2/20 0.40
ACLY P53396 1/20 0.40
RAB9A P51151 3/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
NPC1 O15118 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL6922153 0.81 HPGD (0.54) KMT2AMEN1SMN1; SMN2GAAALDH1A1
SCHEMBL6921597 0.80 KDM4E (0.53) KMT2AMEN1ACLYRAB9AALDH1A1
SCHEMBL2040755 0.80 POLB (0.44) KMT2AMEN1POLBACLYALDH1A1
SCHEMBL6921981 0.77 ALDH1A1 (0.41) KMT2AMEN1SMN1; SMN2ACLYRAB9A
SCHEMBL6920407 0.76 KDM4E (0.38) KMT2ASMN1; SMN2POLBACLYRAB9A
SCHEMBL10298791 0.74 F2R (0.41) F2RPTPN1KMT2AMEN1SMN1; SMN2
SCHEMBL23831362 0.73 GRIK1 (0.46) KMT2AMEN1SMN1; SMN2ACLYRAB9A
SCHEMBL30965372 0.73 ALDH1A1 (0.64) KMT2AMEN1SMN1; SMN2POLBGAA
SCHEMBL6921811 0.71 NR1H4 (0.43) SMN1; SMN2POLBACLYRAB9AGAA
SCHEMBL30235190 0.71 GRIK1 (0.60) KMT2AMEN1SMN1; SMN2RAB9AGAA

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 F2R 2898/4885PTPN1 2260/4885KMT2A 944/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 F2R 2898/4885PTPN1 2260/4885KMT2A 944/4885

“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.