SCHEMBL17259264

SCHEMBL17259264

CC(C)(C)n1nc(CN2CC=CS2(=O)=O)cc1-c1ccc(N2CCCCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.36
CACNA1H O95180 1/20 0.36
SIRT2 Q8IXJ6 3/20 0.34
SIRT1 Q96EB6 2/20 0.34
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL17259214 0.84 KCNH2 (0.39) KCNH2CACNA1H
SCHEMBL17259307 0.84 CACNA1H (0.44) KCNH2CACNA1H
SCHEMBL17259301 0.82 KCNH2 (0.39) KCNH2CACNA1H
SCHEMBL17259314 0.77 MAPT (0.36) SIRT2SIRT1PPARGPPARDPPARA
SCHEMBL17259316 0.77 SIRT2 (0.34) SIRT2SIRT1PPARGPPARDPPARA
SCHEMBL17259290 0.77 CA1 (0.38) SIRT2SIRT1PPARGPPARDPPARA
SCHEMBL17259231 0.70 ALDH1A1 (0.44) SIRT2SIRT1NR1H2NR1H3
SCHEMBL17259296 0.70 CACNA1H (0.40) KCNH2CACNA1H
SCHEMBL17259319 0.69 LMNA (0.46) KCNH2CACNA1HNR1H2
SCHEMBL17259242 0.68 SIRT2 (0.49) SIRT2SIRT1PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493423-B2 Compounds capable of inhibiting voltage gated calcium ion channel, and pharmaceutical compositions comprising the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-11-15 US claimed
US-20150329533-A1 COMPOUNDS CAPABLE OF INHIBITING VOLTAGE GATED CALCIUM ION CHANNEL, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-11-19 US claimed
US-9493423-B2 Compounds capable of inhibiting voltage gated calcium ion channel, and pharmaceutical compositions comprising the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-11-15 US disclosed
US-20150329533-A1 COMPOUNDS CAPABLE OF INHIBITING VOLTAGE GATED CALCIUM ION CHANNEL, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-11-19 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-20150329533-A1 COMPOUNDS CAPABLE OF INHIBITING VOLTAGE GATED CALCIUM ION CHANNEL, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CACNA1B, CACNA1F, CACNA1G KCNH2 33/4885CACNA1H 9/4885SIRT2 2033/4885

“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.