SCHEMBL2040470

SCHEMBL2040470

Cn1cnc2cc(C(=O)Cl)ccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
IP6K1 Q92551 1/20 0.42
SYK P43405 1/20 0.40
NAMPT P43490 2/20 0.39
ACVR1 Q04771 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37
SLC2A1 P11166 1/20 0.37
TNF P01375 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL29110722 0.88 KDM4E (0.56) KDM4EL3MBTL1ALDH1A1HPGDIP6K1
SCHEMBL30204539 0.86 HCAR3 (0.49) KDM4EL3MBTL1ALDH1A1HPGDIP6K1
SCHEMBL2040732 0.86 HCAR3 (0.49) KDM4EL3MBTL1ALDH1A1HPGDIP6K1
SCHEMBL2611376 0.82 HDAC6 (0.47) KDM4EL3MBTL1ALDH1A1HPGDIP6K1
SCHEMBL14061238 0.80 NPC1 (0.57) L3MBTL1ALDH1A1HPGDNAMPTRAB9A
SCHEMBL9919053 0.78 L3MBTL1 (0.41) KDM4EL3MBTL1ALDH1A1HPGDIP6K1
Hydrochloric Acid SCHEMBL6112989 0.78 NPC1 (0.56) L3MBTL1ALDH1A1HPGDNAMPTRAB9A
SCHEMBL30186355 0.78 ESR1 (0.62) KDM4EL3MBTL1ALDH1A1HPGDIP6K1
SCHEMBL9919057 0.78 F2RL3 (0.51) KDM4EL3MBTL1ALDH1A1IP6K1ACVR1
SCHEMBL20570515 0.76 CHRNA7 (0.47) ALDH1A1HPGDNAMPTRAB9ANPC1

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 14 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
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
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 KDM4E 2003/4885L3MBTL1 3622/4885ALDH1A1 1721/4885
US-10077243-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof GRM5, GRIK5, GRM2 KDM4E 3942/4885L3MBTL1 4064/4885ALDH1A1 1457/4885
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 KDM4E 2003/4885L3MBTL1 3622/4885ALDH1A1 1721/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 KDM4E 2003/4885L3MBTL1 3622/4885ALDH1A1 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.