SCHEMBL6920844

SCHEMBL6920844

COCCC(=O)Nc1cc(Br)ccc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
HPGD P15428 5/20 0.43
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
DGAT1 O75907 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 1/20 0.42
ABCG2 Q9UNQ0 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.40
ACLY P53396 1/20 0.40

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) POLBHPGDKDM4ETDP1ALDH1A1
SCHEMBL25492919 0.77 ALDH1A1 (0.55) DGAT1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL29895856 0.75 HPGD (0.58) POLBHPGDKDM4ETDP1ALDH1A1
SCHEMBL25556234 0.75 HPGD (0.58) POLBHPGDKDM4ETDP1ALDH1A1
SCHEMBL6922153 0.75 HPGD (0.54) HPGDKDM4EALDH1A1HSD17B10ABCG2
SCHEMBL28487313 0.75 KCNK2 (0.56) POLBDGAT1MEN1KMT2AMAPT
SCHEMBL29349031 0.74 HPGD (0.71) POLBHPGDMEN1KMT2AMAPT
SCHEMBL5147708 0.74 ALDH1A1 (0.40) POLBHPGDALDH1A1MEN1KMT2A
SCHEMBL12468432 0.73 POLB (0.59) POLBHPGDKDM4ETDP1ALDH1A1
SCHEMBL24373505 0.72 KDM4E (0.54) POLBHPGDKDM4ETDP1ALDH1A1

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 7 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-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-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
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 POLB 4462/4885HPGD 1390/4885KDM4E 2003/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 POLB 4462/4885HPGD 1390/4885KDM4E 2003/4885

“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.