SCHEMBL6920936

SCHEMBL6920936

O=c1c2ccc(Br)cc2nc2n1CCC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
KDM4E B2RXH2 3/20 0.64
HSD17B10 Q99714 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
USP2 O75604 1/20 0.64
CYP1A2 P05177 1/20 0.64
BCHE P06276 1/20 0.64
CFTR P13569 1/20 0.64
ALOX15 P16050 1/20 0.64
ACHE P22303 1/20 0.64
HKDC1 Q2TB90 1/20 0.64
GOPC Q9HD26 1/20 0.64
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
CRHBP P24387 1/20 0.62
CRHR2 Q13324 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.58
HPGD P15428 1/20 0.58
MEN1 O00255 1/20 0.57

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
SCHEMBL6920428 0.96 MEN1 (0.63) ALDH1A1KDM4EHSD17B10TDP1L3MBTL1
SCHEMBL2050608 0.94 MEN1 (0.66) ALDH1A1KDM4EHSD17B10TDP1L3MBTL1
SCHEMBL6922050 0.90 LMNA (0.56) ALDH1A1KDM4EHSD17B10TDP1L3MBTL1
SCHEMBL17221319 0.88 ALDH1A1 (0.70) ALDH1A1KDM4EHSD17B10TDP1L3MBTL1
SCHEMBL6921224 0.87 NPC1 (0.51) ALDH1A1KDM4EHSD17B10TDP1L3MBTL1
SCHEMBL6922048 0.87 LMNA (0.54) ALDH1A1KDM4EHSD17B10TDP1L3MBTL1
SCHEMBL6921220 0.87 NPC1 (0.53) ALDH1A1KDM4EHSD17B10TDP1L3MBTL1
SCHEMBL6920735 0.86 NPC1 (0.49) ALDH1A1KDM4EHSD17B10TDP1L3MBTL1
SCHEMBL6922007 0.83 NPC1 (0.50) ALDH1A1KDM4EHSD17B10TDP1L3MBTL1
SCHEMBL6922246 0.83 NPC1 (0.47) ALDH1A1KDM4EHSD17B10TDP1L3MBTL1

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 ALDH1A1 1721/4885KDM4E 2003/4885HSD17B10 2253/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 ALDH1A1 1721/4885KDM4E 2003/4885HSD17B10 2253/4885

“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.