SCHEMBL17259258

SCHEMBL17259258

CC(C)Cc1cc(C=NO)nn1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.46
CACNA1G O43497 7/20 0.46
CACNA1H O95180 7/20 0.46
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
P2RX7 Q99572 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR6 P50406 7/20 0.42
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL16249227 1.00 KCNH2 (0.46) KCNH2CACNA1GCACNA1HALOX15HTT
SCHEMBL17259221 0.87 KCNH2 (0.40) KCNH2CACNA1GCACNA1HALOX15HTT
SCHEMBL17259220 0.87 KCNH2 (0.40) KCNH2CACNA1GCACNA1HALOX15HTT
SCHEMBL3300596 0.82 KCNH2 (0.52) KCNH2CACNA1GCACNA1HHTR6GAA
SCHEMBL23402955 0.77 KCNH2 (0.52) KCNH2CACNA1GCACNA1HHTR6GAA
SCHEMBL17259259 0.74 KCNH2 (0.60) KCNH2CACNA1GCACNA1HP2RX7HTR6
SCHEMBL16241332 0.73 ALDH1A1 (0.55) KCNH2CACNA1GCACNA1HHTR6GAA
SCHEMBL3300740 0.71 KCNH2 (0.60) KCNH2CACNA1GCACNA1HHTR6GAA
SCHEMBL17259261 0.71 KCNH2 (0.60) KCNH2CACNA1GCACNA1HHTR6GAA
SCHEMBL17259227 0.69 KCNH2 (0.67) KCNH2CACNA1GCACNA1HHTR6MEN1

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-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 33/4885CACNA1G 3/4885CACNA1H 9/4885

“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.