SCHEMBL6047752

SCHEMBL6047752

C=CCCOc1c(F)cccc1-c1c(C#N)ncc2ccc(OC)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
NPC1 O15118 2/20 0.39
PDE4B Q07343 1/20 0.35
KCNA5 P22460 4/20 0.35
KCNH2 Q12809 3/20 0.35
ALDH1A1 P00352 6/20 0.34
MAPT P10636 5/20 0.34
KDM4E B2RXH2 5/20 0.34
GAA P10253 3/20 0.34
HPGD P15428 4/20 0.33
HSD17B10 Q99714 4/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGDS O60760 1/20 0.32
HTT P42858 2/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
SQOR Q9Y6N5 1/20 0.32
CYP17A1 P05093 1/20 0.31
CYP11B1 P15538 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
SCHEMBL1384138 0.81 RAB9A (0.55) RAB9ANPC1KCNA5KCNH2ALDH1A1
SCHEMBL6047753 0.78 PDE4B (0.38) RAB9ANPC1PDE4BKCNA5KCNH2
SCHEMBL1384577 0.72 KCNA5 (0.59) RAB9ANPC1KCNA5KCNH2ALDH1A1
SCHEMBL1384722 0.70 KCNA5 (0.57) RAB9ANPC1PDE4BKCNA5KCNH2
SCHEMBL1378608 0.70 KCNA5 (0.54) RAB9ANPC1KCNA5KCNH2ALDH1A1
SCHEMBL9940416 0.65 KDM4E (0.40) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1382839 0.64 KDM4E (0.45) RAB9ANPC1KCNA5KCNH2ALDH1A1
SCHEMBL3115869 0.64 KCNA5 (0.58) RAB9ANPC1PDE4BKCNA5KCNH2
SCHEMBL2167818 0.62 KCNA5 (0.43) KCNA5KCNH2ALDH1A1MAPTKDM4E
SCHEMBL149899 0.61 MAPK1 (0.56) RAB9ANPC1ALDH1A1HSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276450-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2006-12-07 US claimed

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-20060276450-A1 Isoquinoline potassium channel inhibitors KCNQ1, KCNQ2, KCNJ2 RAB9A 2350/4885NPC1 484/4885PDE4B 1421/4885

“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.