SCHEMBL13615811

SCHEMBL13615811

CC(C)Cc1ncc(-c2cccc(N)n2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.43
ASIC3 Q9UHC3 1/20 0.42
NOS3 P29474 2/20 0.40
NOS1 P29475 1/20 0.40
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
LOXL2 Q9Y4K0 2/20 0.36
BRS3 P32247 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
NOS2 P35228 1/20 0.34
MCHR1 Q99705 1/20 0.34
TP53 P04637 2/20 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
SCHEMBL13622972 0.84 ASIC3 (0.44) IDH1ASIC3NOS3NOS1LOXL2
SCHEMBL4312364 0.80 ASIC3 (0.43) IDH1ASIC3NOS3NOS1LOXL2
SCHEMBL13623256 0.78 ERCC5 (0.40) IDH1ASIC3NOS3NOS1LOXL2
SCHEMBL10130760 0.78 IDH1 (0.46) IDH1ASIC3NOS3NOS1TLR8
SCHEMBL13625437 0.78 KDM4E (0.52) LOXL2MAPTKDM4EALDH1A1TRPM8
SCHEMBL13615817 0.77 IDH1 (0.42) IDH1ASIC3NOS3NOS1TLR8
SCHEMBL13615880 0.76 ASIC3 (0.46) IDH1ASIC3NOS3NOS1TLR8
SCHEMBL13629651 0.76 ASIC3 (0.48) IDH1ASIC3NOS3NOS1BRS3
SCHEMBL10130883 0.73 IDH1 (0.43) IDH1ASIC3NOS3NOS1BRS3
SCHEMBL13615803 0.72 IDH1 (0.49) IDH1ASIC3NOS3NOS1TLR7

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-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
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. 2009-11-12 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 (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 IDH1 1333/4885ASIC3 1928/4885NOS3 2927/4885
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 IDH1 1333/4885ASIC3 1928/4885NOS3 2927/4885

“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.