SCHEMBL6921153

SCHEMBL6921153

O=c1c2ccc(Cl)nc2nc2n1CCCCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HDAC6 Q9UBN7 1/20 0.56
ALDH1A1 P00352 8/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
KDM4E B2RXH2 4/20 0.48
USP2 O75604 2/20 0.48
ALOX15 P16050 2/20 0.48
ACHE P22303 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP1A2 P05177 1/20 0.48
BCHE P06276 1/20 0.48
CFTR P13569 1/20 0.48
HKDC1 Q2TB90 1/20 0.48
GOPC Q9HD26 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 3/20 0.47
LMNA P02545 3/20 0.45
NPC1 O15118 3/20 0.45

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
SCHEMBL31586837 0.77 POLB (0.48) MEN1KMT2AHDAC6SMN1; SMN2KDM4E
SCHEMBL6922018 0.77 MEN1 (0.55) MEN1KMT2AHDAC6ALDH1A1SMN1; SMN2
SCHEMBL8969198 0.76 ACHE (0.71) MEN1KMT2AHDAC6ALDH1A1SMN1; SMN2
SCHEMBL6921063 0.74 SMN1; SMN2 (0.31) ALDH1A1SMN1; SMN2KDM4EUSP2ALOX15
SCHEMBL9994241 0.74 MEN1 (0.52) MEN1KMT2AHDAC6ALDH1A1SMN1; SMN2
SCHEMBL8968275 0.73 ALDH1A1 (0.71) MEN1KMT2AHDAC6ALDH1A1SMN1; SMN2
SCHEMBL8968439 0.73 KMT2A (0.62) MEN1KMT2AHDAC6ALDH1A1SMN1; SMN2
SCHEMBL6288230 0.72 MEN1 (1.00) MEN1KMT2AHDAC6ALDH1A1SMN1; SMN2
SCHEMBL8968942 0.70 ALDH1A1 (0.80) MEN1KMT2AHDAC6ALDH1A1SMN1; SMN2
SCHEMBL2050608 0.70 MEN1 (0.66) MEN1KMT2AHDAC6ALDH1A1SMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2019-02-21 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-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 (3 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 MEN1 3947/4885KMT2A 944/4885HDAC6 360/4885
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 MEN1 3947/4885KMT2A 944/4885HDAC6 360/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 MEN1 3947/4885KMT2A 944/4885HDAC6 360/4885

“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.