SCHEMBL22600720

SCHEMBL22600720

CCOC(=O)c1nn(S(=O)(=O)c2ccc(C)cc2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TSHR P16473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NOD2 Q9HC29 1/20 0.49
NOD1 Q9Y239 1/20 0.49
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 4/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 2/20 0.45
CA9 Q16790 3/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
GLA P06280 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL22588774 0.82 MAPT (0.50) LMNAKDM4ETSHRALDH1A1SMN1; SMN2
SCHEMBL567361 0.79 KMT2A (0.52) LMNAKDM4ETSHRL3MBTL1NOD2
SCHEMBL14019455 0.75 NPC1 (0.77) LMNAKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL31728066 0.73 LMNA (0.64) LMNAKDM4ETSHRL3MBTL1NOD2
SCHEMBL12777659 0.72 NOD2 (0.66) LMNAKDM4ETSHRL3MBTL1NOD2
SCHEMBL23012371 0.72 SMN1; SMN2 (0.45) LMNATSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL9584929 0.71 NOD1 (0.49) LMNAKDM4ETSHRL3MBTL1NOD2
SCHEMBL17942309 0.71 LMNA (0.57) LMNAKDM4ETSHRL3MBTL1NOD2
SCHEMBL29808320 0.71 GRM4 (0.43) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL24620519 0.71 GRM4 (0.43) LMNAALDH1A1SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220220095-A1 N-((HETEROARYL)METHYL)-1-TOSYL-1H-PYRAZOLE-3-CARBOXAMIDE DERIVATIVES AS Kv3 POTASSIUM CHANNEL ACTIVATORS FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS H LUNDBECK AS (DK) 2022-07-14 US disclosed
CN-113692405-A Derivatives of N- ((heteroaryl) methyl) -1-tosyl-1H-pyrazole-3-carboxamide as KV3 potassium channel activators for the treatment of neurological or psychiatric disorders H.隆德贝克有限公司 2021-11-23 CN disclosed
WO-2020216920-A1 N-((HETEROARYL)METHYL)-1-TOSYL-1H-PYRAZOLE-3-CARBOXAMIDE DERIVATIVES AS KV3 POTASSIUM CHANNEL ACTIVATORS FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS H. LUNDBECK A/S (DK) 2020-10-29 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 (1 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-20220220095-A1 N-((HETEROARYL)METHYL)-1-TOSYL-1H-PYRAZOLE-3-CARBOXAMIDE DERIVATIVES AS Kv3 POTASSIUM CHANNEL ACTIVATORS FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS KCNA3, KCNK3, KCND3 LMNA 1966/4885KDM4E 288/4885TSHR 1831/4885

“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.