SCHEMBL5017666

SCHEMBL5017666

NOCc1ccc(-c2cccc(N)n2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.42
DPP4 P27487 3/20 0.41
AGXT P21549 2/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LTA4H P09960 1/20 0.38
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
IDH1 O75874 3/20 0.34
NOS1 P29475 4/20 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
SCHEMBL14075048 0.81 ASIC3 (0.38) ASIC3DPP4KDM4EALDH1A1MEN1
SCHEMBL10160861 0.79 ASIC3 (0.44) ASIC3KDM4EALDH1A1MEN1MAPT
SCHEMBL4309177 0.78 ASIC3 (0.38) ASIC3AGXTKDM4EALDH1A1MEN1
SCHEMBL4312364 0.78 ASIC3 (0.43) ASIC3KDM4EALDH1A1MEN1MAPT
SCHEMBL563407 0.77 KDM4E (0.58) DPP4AGXTKDM4EALDH1A1MAPT
SCHEMBL10130760 0.75 IDH1 (0.46) ASIC3KDM4EALDH1A1MEN1MAPT
SCHEMBL4344143 0.74 ASIC3 (0.46) ASIC3KDM4EALDH1A1MEN1MAPT
SCHEMBL4313732 0.71 ALDH1A1 (0.55) ASIC3KDM4EALDH1A1MEN1MAPT
SCHEMBL4315196 0.70 ASIC3 (0.39) ASIC3KDM4EALDH1A1MEN1MAPT
SCHEMBL4317083 0.70 ASIC3 (0.39) ASIC3IDH1NOS1NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041618-A1 6-11 Bridged Oxime Erythromycin Derivatives ENANTA PHARMACEUTICALS, INC. 2010-02-18 US disclosed
US-20100041618-A1 6-11 Bridged Oxime Erythromycin Derivatives ENANTA PHARMACEUTICALS, INC. 2010-02-18 US disclosed
US-20080262208-A1 6-11 Bridged Oxime Erythromycin Derivatives WANG GUOQIANG 2008-10-23 US disclosed
US-20080262208-A1 6-11 Bridged Oxime Erythromycin Derivatives WANG GUOQIANG 2008-10-23 US disclosed
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
US-7384922-B2 6-11 bridged oxime erythromycin derivatives ENANTA PHARMACEUTICALS, INC. (US) 2008-06-10 US disclosed
US-7384922-B2 6-11 bridged oxime erythromycin derivatives ENANTA PHARMACEUTICALS, INC. (US) 2008-06-10 US disclosed
US-7265094-B2 9N-substituted 6-11 bicyclic erythromycin derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-04 US disclosed
US-7265094-B2 9N-substituted 6-11 bicyclic erythromycin derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-04 US disclosed
US-20060142214-A1 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. 2006-06-29 US disclosed
WO-2005070113-A2 9N-SUBSTITUTED 6-11 BICYCLIC ERYTHROMYCIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2005-08-04 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 (3 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-20100041618-A1 6-11 Bridged Oxime Erythromycin Derivatives CYP2D6, CYP2B6, CYP1B1 ASIC3 2946/4885DPP4 767/4885AGXT 1956/4885
US-20060142214-A1 3,6-bicyclolides ABCB11, CYP2B6, CYP3A7 ASIC3 640/4885DPP4 440/4885AGXT 1676/4885
US-20080262208-A1 6-11 Bridged Oxime Erythromycin Derivatives CYP2D6, CYP2B6, CYP1B1 ASIC3 2946/4885DPP4 767/4885AGXT 1956/4885

“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.