SCHEMBL13622972

SCHEMBL13622972

CCc1ncc(-c2cccc(N)n2)s1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.44
BRS3 P32247 1/20 0.40
IDH1 O75874 4/20 0.39
LOXL2 Q9Y4K0 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NOS3 P29474 6/20 0.36
NOS2 P35228 2/20 0.36
NOS1 P29475 5/20 0.36
MAPK14 Q16539 2/20 0.36
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL13615811 0.84 IDH1 (0.43) ASIC3BRS3IDH1LOXL2KDM4E
SCHEMBL4312364 0.83 ASIC3 (0.43) ASIC3BRS3IDH1LOXL2KDM4E
SCHEMBL13623256 0.81 ERCC5 (0.40) ASIC3BRS3IDH1LOXL2KDM4E
SCHEMBL13629651 0.78 ASIC3 (0.48) ASIC3BRS3IDH1KDM4EALDH1A1
SCHEMBL8239921 0.77 KDM4E (0.55) LOXL2KDM4EALDH1A1MAPTMAPK14
SCHEMBL13615880 0.75 ASIC3 (0.46) ASIC3BRS3IDH1KDM4EALDH1A1
SCHEMBL20390647 0.75 ASIC3 (0.48) ASIC3BRS3IDH1KDM4EALDH1A1
SCHEMBL10160861 0.75 ASIC3 (0.44) ASIC3IDH1KDM4EALDH1A1MEN1
SCHEMBL13823018 0.74 ASIC3 (0.41) ASIC3IDH1KDM4EALDH1A1MEN1
SCHEMBL8830055 0.74 LOXL2 (0.58) LOXL2ERCC5FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203435-B1 6, 11-BRIDGED BIARYL MACROLIDES ENANTA PHARM INC (US) 2018-07-18 EP disclosed
US-20130231298-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-8383785-B2 Anti-bacterial activity of 9-hydroxy derivatives of 6,11-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2013-02-26 US disclosed
WO-2009137737-A2 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6, 11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. 2009-11-12 US disclosed
WO-2009075923-A2 6, 11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2009-06-18 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 (2 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-20130231298-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 ASIC3 1928/4885BRS3 1214/4885IDH1 1333/4885
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 ASIC3 1928/4885BRS3 1214/4885IDH1 1333/4885

“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.