SCHEMBL7519440

SCHEMBL7519440

CN(C)S(=O)(=O)n1cc(-c2ccccc2)nc1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 2/20 0.39
GFER P55789 1/20 0.39
MAPT P10636 2/20 0.37
ALDH1A2 O94788 2/20 0.37
ALDH1A3 P47895 2/20 0.37
PDE10A Q9Y233 3/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HCRTR1 O43613 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 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
SCHEMBL7509246 0.86 TSHR (0.46) TSHRALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL7503514 0.83 TSHR (0.41) TSHRALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL7503519 0.76 TSHR (0.45) TSHRALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL15033450 0.75 TSHR (0.47) TSHRALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL9523406 0.75 TSHR (0.44) TSHRALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL7449872 0.75 TSHR (0.42) TSHRALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL9521448 0.74 TSHR (0.46) TSHRALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL7513849 0.74 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDGFERPDE10A
SCHEMBL9876372 0.74 TSHR (0.43) TSHRALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL9876370 0.74 TSHR (0.43) TSHRALDH1A1KDM4ESMN1; SMN2NPC1

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
EP-3318561-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2021-12-22 EP disclosed
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS, INC. (US) 2020-02-18 US disclosed
EP-2576540-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-09-04 EP disclosed
EP-3318561-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2018-05-09 EP disclosed
US-20180037590-A1 SUBSTITUTED QUINOLINES AS PDE-10 INHIBITORS SUNOVION PHARMACEUTICALS INC. 2018-02-08 US disclosed
US-9834564-B2 Substituted quinolines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2017-12-05 US disclosed
US-9834564-B2 Substituted quinolines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2017-12-05 US disclosed
US-20150166571-A1 Heteroaryl Compounds and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2015-06-18 US disclosed
US-8969349-B2 Substituted quinoxalines and quinoxalinones as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2015-03-03 US disclosed
US-20130158003-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2013-06-20 US disclosed
EP-2576540-A2 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2013-04-10 EP disclosed
WO-2011150156-A2 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-12-01 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-20180037590-A1 SUBSTITUTED QUINOLINES AS PDE-10 INHIBITORS PDE10A, PDE2A, PDE3A TSHR 2306/4885ALDH1A1 559/4885KDM4E 202/4885
US-20130158003-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN TSHR 1653/4885ALDH1A1 560/4885KDM4E 969/4885
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors PDE4A, PDE2A, PDE9A TSHR 2874/4885ALDH1A1 1140/4885KDM4E 1397/4885
US-20150166571-A1 Heteroaryl Compounds and Methods of Use Thereof COMT, GPR119, NLN TSHR 1653/4885ALDH1A1 560/4885KDM4E 969/4885

“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.