SCHEMBL2053657

SCHEMBL2053657

O=c1c2ccc(C#Cc3ccc(F)cc3)cc2ncn1Cc1ccco1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.61
ALDH1A1 P00352 10/20 0.51
KDM4E B2RXH2 7/20 0.51
HPGD P15428 7/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MMP13 P45452 2/20 0.49
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HSD17B10 Q99714 5/20 0.43
LMNA P02545 5/20 0.43
POLB P06746 3/20 0.43
PKM P14618 4/20 0.41
TSHR P16473 3/20 0.41
GAA P10253 2/20 0.41
HTT P42858 2/20 0.41
GLA P06280 1/20 0.41
MAPK10 P53779 1/20 0.41
TP53 P04637 2/20 0.40
NPSR1 Q6W5P4 4/20 0.40
HDAC3 O15379 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
SCHEMBL6921545 0.86 STAT3 (0.65) STAT3ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL6921467 0.78 STAT3 (0.70) STAT3ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL6921326 0.78 RAB9A (0.51) ALDH1A1HPGDSMN1; SMN2MMP13NPC1
SCHEMBL6921460 0.76 MMP13 (0.45) ALDH1A1KDM4EMMP13GAAHDAC3
SCHEMBL2054370 0.75 KMT2A (0.46) ALDH1A1SMN1; SMN2MMP13NPC1RAB9A
SCHEMBL2038835 0.72 KDM4E (0.54) ALDH1A1KDM4EHPGDMMP13RAB9A
SCHEMBL2050523 0.72 KDM4E (0.54) ALDH1A1KDM4EHPGDMMP13RAB9A
SCHEMBL2038837 0.72 KDM4E (0.54) ALDH1A1KDM4EHPGDMMP13RAB9A
SCHEMBL6922017 0.70 LMNA (0.43) HPGDSMN1; SMN2MMP13NPC1RAB9A
SCHEMBL2052972 0.70 GRM5 (0.44) SMN1; SMN2MMP13NPC1RAB9A

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 12 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-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-10077243-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2018-09-18 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-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-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 (4 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 STAT3 1243/4885ALDH1A1 1721/4885KDM4E 2003/4885
US-10077243-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof GRM5, GRIK5, GRM2 STAT3 2926/4885ALDH1A1 1457/4885KDM4E 3942/4885
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 STAT3 1243/4885ALDH1A1 1721/4885KDM4E 2003/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 STAT3 1243/4885ALDH1A1 1721/4885KDM4E 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.