SCHEMBL6921597

SCHEMBL6921597

CCC(C)C(=O)Nc1cc(Br)ccc1C(=O)NC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
RAB9A P51151 3/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.52
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GPR35 Q9HC97 1/20 0.40
FPR2 P25090 1/20 0.39
ACLY P53396 1/20 0.39
HSD17B10 Q99714 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
MEN1 O00255 2/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL6921981 0.84 ALDH1A1 (0.41) KDM4ERAB9AALDH1A1LMNAKMT2A
SCHEMBL6920407 0.83 KDM4E (0.38) KDM4ERAB9AALDH1A1LMNAKMT2A
SCHEMBL6923286 0.80 F2R (0.45) KDM4ERAB9AALDH1A1LMNAKMT2A
SCHEMBL23831362 0.75 GRIK1 (0.46) RAB9AALDH1A1LMNAKMT2AACLY
SCHEMBL6922153 0.74 HPGD (0.54) KDM4EALDH1A1LMNAKMT2AHSD17B10
SCHEMBL30235190 0.73 GRIK1 (0.60) RAB9AALDH1A1LMNAKMT2AMEN1
SCHEMBL2040755 0.73 POLB (0.44) KDM4EALDH1A1KMT2AL3MBTL1ACLY
SCHEMBL23831372 0.73 GRIK1 (0.60) RAB9AALDH1A1LMNAKMT2AMEN1
SCHEMBL6921382 0.73 AAK1 (0.52) ALDH1A1LMNAGPR35ACLY
SCHEMBL23831419 0.72 ACLY (0.53) RAB9AALDH1A1LMNAKMT2AACLY

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 KDM4E 2003/4885RAB9A 1387/4885ALDH1A1 1721/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 KDM4E 2003/4885RAB9A 1387/4885ALDH1A1 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.