SCHEMBL5012773

SCHEMBL5012773

NOCc1cccc(-c2ccc(N)nc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.41
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
FYN P06241 4/20 0.38
PIK3CD O00329 2/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
LTA4H P09960 1/20 0.36
ASIC3 Q9UHC3 1/20 0.35
PARP1 P09874 1/20 0.34
DHODH Q02127 1/20 0.34
KCNH2 Q12809 1/20 0.34
TRPV3 Q8NET8 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34

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
SCHEMBL5014375 0.84 MAPT (0.41) DHODHTRPV3SCN9AMAPT
SCHEMBL14075062 0.83 MAP4K4 (0.38) MAP4K4MEN1NPC1RAB9AKMT2A
SCHEMBL5014383 0.80 FEN1 (0.39) KCNH2ALOX5APFEN1
SCHEMBL4344143 0.77 ASIC3 (0.46) MEN1KMT2AALDH1A1KDM4EASIC3
SCHEMBL5014342 0.77 CYP2A6 (0.53) MEN1NPC1MKNK1MKNK2ALDH1A1
SCHEMBL5014400 0.76 ABL1 (0.34) MEN1RAB9AKMT2AALDH1A1ASIC3
SCHEMBL5014483 0.75 MEN1 (0.46) MAP4K4MEN1NPC1RAB9AKMT2A
SCHEMBL5013990 0.74 HIF1A (0.36) MEN1KMT2AALDH1A1KDM4EASIC3
SCHEMBL5012746 0.74 ASIC3 (0.33) ASIC3KCNH2ALOX5APFEN1SCN9A
SCHEMBL1556910 0.73 BACE1 (0.43) ASIC3KCNH2MPO

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 3 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
CN-101107000-A 3,6-bicyclolides ENANTA PHARM INC (US) 2008-01-16 CN disclosed
US-20060142214-A1 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. 2006-06-29 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-20060142214-A1 3,6-bicyclolides ABCB11, CYP2B6, CYP3A7 MAP4K4 2455/4885MEN1 3212/4885NPC1 299/4885

“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.