SCHEMBL13622982

SCHEMBL13622982

CCc1cnc(-c2cccc(N)n2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.40
IDH1 O75874 3/20 0.35
NOS1 P29475 9/20 0.35
NOS3 P29474 8/20 0.35
NOS2 P35228 4/20 0.35
SRC P12931 1/20 0.34
ZAP70 P43403 1/20 0.34
SYK P43405 1/20 0.34
BRS3 P32247 1/20 0.34
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK5 Q00535 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL13615817 0.84 IDH1 (0.42) ASIC3IDH1NOS1NOS3NOS2
SCHEMBL4309177 0.82 ASIC3 (0.38) ASIC3IDH1NOS1NOS3NOS2
SCHEMBL4891091 0.81 SRC (0.34) SRCZAP70SYKCCNE1CDK2
SCHEMBL13629736 0.79 SRC (0.43) ASIC3IDH1NOS1NOS3NOS2
SCHEMBL10160861 0.77 ASIC3 (0.44) ASIC3IDH1NOS1NOS3NOS2
SCHEMBL12112308 0.76 ALDH1A1 (0.54) ALDH1A1POLBMAPTHSD17B10L3MBTL1
SCHEMBL20390803 0.76 ASIC3 (0.43) ASIC3IDH1NOS1NOS3NOS2
SCHEMBL20390792 0.75 ASIC3 (0.40) ASIC3IDH1NOS1NOS3NOS2
SCHEMBL13615884 0.75 ASIC3 (0.40) ASIC3IDH1NOS1NOS3NOS2
SCHEMBL4896924 0.74 KMT2A (0.42) SRCZAP70SYKALDH1A1POLB

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 5 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

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 1928/4885IDH1 1333/4885NOS1 3084/4885
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 ASIC3 1928/4885IDH1 1333/4885NOS1 3084/4885

“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.