SCHEMBL13615880

SCHEMBL13615880

CC(C)c1ncc(-c2cccc(N)n2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.46
IDH1 O75874 4/20 0.41
NOS3 P29474 5/20 0.37
NOS2 P35228 3/20 0.37
NOS1 P29475 4/20 0.36
BRS3 P32247 1/20 0.36
MCHR1 Q99705 2/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33
MAPK14 Q16539 2/20 0.33

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
SCHEMBL15858751 0.83 TGFBR1 (0.34) KDM4EALDH1A1MEN1MAPTHPGD
SCHEMBL13629651 0.79 ASIC3 (0.48) ASIC3IDH1NOS3NOS2NOS1
SCHEMBL13615811 0.76 IDH1 (0.43) ASIC3IDH1NOS3NOS2NOS1
SCHEMBL24958732 0.76 KDM4E (0.57) KDM4EALDH1A1MAPTHPGDTDP1
SCHEMBL20390647 0.76 ASIC3 (0.48) ASIC3IDH1NOS3NOS2NOS1
SCHEMBL12680208 0.76 ASIC3 (0.44) ASIC3IDH1NOS3NOS2NOS1
SCHEMBL13659750 0.75 ASIC3 (0.41) ASIC3IDH1NOS3NOS2NOS1
SCHEMBL13622972 0.75 ASIC3 (0.44) ASIC3IDH1NOS3NOS2NOS1
SCHEMBL13615884 0.74 ASIC3 (0.40) ASIC3IDH1NOS3NOS2NOS1
SCHEMBL13659774 0.73 GRB2 (0.34) TLR8TLR7MAPK14

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 13 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-20140187780-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2014-07-03 US 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-20130165641-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2013-06-27 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
US-8354383-B2 6,11-bridged biaryl macrolides ENANTA PHARMACEUTICALS, INC. (US) 2013-01-15 US disclosed
US-8354383-B2 6,11-bridged biaryl macrolides ENANTA PHARMACEUTICALS, INC. (US) 2013-01-15 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
US-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-05-07 US disclosed
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-05-07 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 (6 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-20130165641-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 ASIC3 2381/4885IDH1 851/4885NOS3 2152/4885
US-20130231298-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 ASIC3 1928/4885IDH1 1333/4885NOS3 2927/4885
US-20140187780-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 ASIC3 2381/4885IDH1 851/4885NOS3 2152/4885
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 ASIC3 2128/4885IDH1 883/4885NOS3 1939/4885
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 ASIC3 1928/4885IDH1 1333/4885NOS3 2927/4885
US-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 ASIC3 2381/4885IDH1 851/4885NOS3 2152/4885

“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.