SCHEMBL13699227

SCHEMBL13699227

CCOC/C=C/c1cccnc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.38
NOS2 P35228 2/20 0.38
NOS1 P29475 1/20 0.38
AMY1A P0DUB6 1/20 0.38
NAPRT Q6XQN6 1/20 0.34
LTA4H P09960 1/20 0.34
MAPK14 Q16539 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
TLR8 Q9NR97 1/20 0.33
SLC40A1 Q9NP59 1/20 0.32
GAA P10253 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NCF1 P14598 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 2/20 0.32
KDM4E B2RXH2 2/20 0.31
GRM5 P41594 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL13699048 0.84 NPC1 (0.36) NOS3NOS2NOS1AMY1ANAPRT
SCHEMBL14292504 0.82 NOS2 (0.44) NOS3NOS2NOS1AMY1ANAPRT
SCHEMBL14149889 0.82 NOS2 (0.44) NOS3NOS2NOS1AMY1ANAPRT
SCHEMBL24061463 0.79 TLR8 (0.51) NOS3NOS2NOS1AMY1ANAPRT
SCHEMBL13699161 0.75 NOS2 (0.38) NOS3NOS2NOS1AMY1ANAPRT
SCHEMBL13699045 0.74 NOS3 (0.40) NOS3NOS2NOS1AMY1ANAPRT
SCHEMBL13699261 0.73 NPC1 (0.52) NPC1RAB9AGAAKDM4EGRM5
SCHEMBL20347735 0.72 NOS3 (0.48) NOS3NOS2NOS1AMY1ANAPRT
SCHEMBL10072090 0.72 NOS3 (0.48) NOS3NOS2NOS1AMY1ANAPRT
SCHEMBL15019607 0.72 CA12 (0.47) NPC1RAB9AL3MBTL1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
WO-2008019240-A2 3, 6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 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-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 NOS3 2072/4885NOS2 1543/4885NOS1 2008/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 NOS3 735/4885NOS2 1544/4885NOS1 2014/4885

“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.