SCHEMBL13115285

SCHEMBL13115285

CCCc1nc(-c2ccc3ccccc3c2)[nH]c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.48
MAPT P10636 5/20 0.45
TEK Q02763 2/20 0.41
ALOX5 P09917 1/20 0.41
PTPN1 P18031 1/20 0.41
PDE5A O76074 1/20 0.41
TP53 P04637 3/20 0.40
NOX1 Q9Y5S8 2/20 0.40
THRB P10828 1/20 0.40
CHEK2 O96017 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 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
SCHEMBL13115568 0.87 PDE5A (0.50) MAPK14MAPTPDE5ATP53NOX1
SCHEMBL13263390 0.83 KDM4E (0.51) MAPK14MAPTPDE5ATP53NOX1
SCHEMBL13115284 0.82 MAPK13 (0.52) MAPK14MAPTALOX5TP53KDM4E
SCHEMBL13115286 0.82 MAPK13 (0.52) MAPK14MAPTALOX5PTPN1PDE5A
SCHEMBL13115392 0.82 MAPK14 (0.53) MAPK14MAPTALOX5PDE5ATP53
SCHEMBL13115340 0.82 MAPK13 (0.53) MAPK14MAPTPDE5ATP53NOX1
SCHEMBL13115282 0.78 MAPK14 (0.56) MAPK14ALOX5PDE5ANOX1CHEK2
SCHEMBL13115287 0.77 CYP2E1 (0.41) MAPK14MAPTPDE5AKDM4EALDH1A1
SCHEMBL13115294 0.77 MAPK14 (0.45) MAPK14MAPTALOX5PDE5ATP53
SCHEMBL13115290 0.76 MAPK13 (0.39) MAPK14MAPTPDE5ATP53KDM4E

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-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER HONGU MITSUYA 2010-10-07 US disclosed
US-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER HONGU MITSUYA 2010-10-07 US disclosed
US-7759373-B2 Large conductance calcium-activated K channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-20 US disclosed
US-7759373-B2 Large conductance calcium-activated K channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-20 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-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER KCNN3, KCNN2, KCNN1 MAPK14 1232/4885MAPT 2752/4885TEK 4187/4885

“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.