SCHEMBL6038580

SCHEMBL6038580

CN1CCN(C(=O)n2ccc3cc(Oc4ccnc(N(C(=O)O)C(=O)Oc5ccccc5)c4)ccc32)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN7A Q01118 2/20 0.39
KCNH2 Q12809 2/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SCN5A Q14524 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
CHRM1 P11229 1/20 0.34
NPC1 O15118 1/20 0.34
SCN9A Q15858 1/20 0.34
TNK2 Q07912 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
GALR3 O60755 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL5107763 0.97 POLB (0.39) SCN7AKCNH2POLBL3MBTL1SCN5A
SCHEMBL6038471 0.90 HSD17B10 (0.40) POLBNPC1ADORA2AADORA1MAPT
SCHEMBL5115425 0.86 HSD17B10 (0.41) POLBNPC1MAPT
SCHEMBL5108372 0.85 SCN7A (0.40) SCN7AKCNH2POLBL3MBTL1SCN5A
SCHEMBL6375561 0.81 KDR (0.35) RAF1BRAFGALR3GAA
SCHEMBL6109302 0.81 RIPK1 (0.37) NPC1
SCHEMBL5115427 0.80 EPHX1 (0.35) SCN7AKCNH2POLBL3MBTL1NPC1
SCHEMBL5113619 0.80 GCK (0.40) KCNH2RAF1BRAF
SCHEMBL6041223 0.79 GALR3 (0.36) RAF1BRAFGALR3GAA
SCHEMBL6038526 0.79 RAB9A (0.38) L3MBTL1NPC1MAPT

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-20060004029-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-01-05 US disclosed
EP-1522540-A1 AZAARENE DERIVATIVES Eisai Co., Ltd. (JP) 2005-04-13 EP 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-20060004029-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 SCN7A 326/4885KCNH2 955/4885POLB 2891/4885

“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.