SCHEMBL5012746

SCHEMBL5012746

NOCc1cccc(-c2cncc(N)n2)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
KCNH2 Q12809 1/20 0.32
CDK2 P24941 1/20 0.32
GRM4 Q14833 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
CYP3A4 P08684 2/20 0.31
IDO1 P14902 2/20 0.31
AGXT P21549 2/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
SCN5A Q14524 1/20 0.30

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
SCHEMBL4344143 0.85 ASIC3 (0.46) ASIC3KCNH2NOS1NOS2IDO1
SCHEMBL14075035 0.84 ASIC3 (0.30) ASIC3
SCHEMBL5014383 0.78 FEN1 (0.39) KCNH2ALOX5APFEN1
SCHEMBL5012722 0.78 GABRA1 (0.39) KCNH2
SCHEMBL5013990 0.75 HIF1A (0.36) ASIC3KCNH2
SCHEMBL16588053 0.75 KCNH2 (0.36) KCNH2CYP3A4IDO1AGXT
SCHEMBL5014400 0.74 ABL1 (0.34) ASIC3HRH4KCNH2IDO1AGXT
SCHEMBL5012773 0.74 MAP4K4 (0.41) ASIC3KCNH2ALOX5APFEN1SCN9A
SCHEMBL1556910 0.74 BACE1 (0.43) ASIC3KCNH2NOS1NOS2CYP3A4
SCHEMBL2385207 0.72 KDM4E (0.57) ASIC3KCNH2

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-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
EP-1830858-A2 3, 6-BICYCLOLIDES Enanta Pharmaceuticals, Inc. (US) 2007-09-12 EP disclosed
US-20060142214-A1 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. 2006-06-29 US disclosed
WO-2006063039-A2 3, 6-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2006-06-15 WO 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-20060142214-A1 3,6-bicyclolides ABCB11, CYP2B6, CYP3A7 ASIC3 640/4885HRH4 3080/4885KCNH2 2968/4885

“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.