SCHEMBL10094656

SCHEMBL10094656

Cc1cccnc1NC1CCS(=O)(=O)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
GLA P06280 1/20 0.49
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MAPT P10636 1/20 0.44
GLP1R P43220 1/20 0.43
PDE10A Q9Y233 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
MCL1 Q07820 1/20 0.41
TSHR P16473 1/20 0.40
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL10094357 0.82 MAPK1 (0.44) SMN1; SMN2GLAMAPK1ALDH1A1L3MBTL1
SCHEMBL14818705 0.80 PDE10A (0.56) SMN1; SMN2MAPK1ALDH1A1L3MBTL1MAPT
SCHEMBL14818766 0.77 PDE10A (0.51) ALDH1A1L3MBTL1MAPTPDE10AGAA
SCHEMBL14818786 0.77 KDM4E (0.52) ALDH1A1L3MBTL1MAPTPDE10AGAA
SCHEMBL13246643 0.75 KDM4E (0.55) SMN1; SMN2ALDH1A1L3MBTL1MAPTPDE10A
SCHEMBL11491661 0.75 KDM4E (0.55) SMN1; SMN2ALDH1A1L3MBTL1MAPTPDE10A
SCHEMBL7698521 0.73 PDE10A (0.51) L3MBTL1MAPTPDE10AGAAKDM4E
SCHEMBL884577 0.71 ALDH1A1 (0.45) MAPK1ALDH1A1L3MBTL1MAPT
SCHEMBL9417378 0.71 PDE10A (0.49) ALDH1A1L3MBTL1MAPTPDE10AGAA
SCHEMBL9417382 0.71 PDE10A (0.49) ALDH1A1L3MBTL1MAPTPDE10AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 US 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-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 SMN1; SMN2 4477/4885GLA 3825/4885MAPK1 1551/4885

“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.