SCHEMBL5014465

SCHEMBL5014465

NOCc1cccc(-c2cccnc2F)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
GRM5 P41594 2/20 0.37
FFAR1 O14842 1/20 0.34
KCNH2 Q12809 1/20 0.33
TGFBR1 P36897 1/20 0.33
PDE8A O60658 1/20 0.33
NPC1 O15118 2/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
IDO1 P14902 2/20 0.33
AGXT P21549 2/20 0.33
CHRNA7 P36544 1/20 0.32
DHODH Q02127 1/20 0.32
ADRA1A P35348 1/20 0.32
BACE1 P56817 2/20 0.31
CTSD P07339 1/20 0.31
BACE2 Q9Y5Z0 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
SCHEMBL5014468 0.82 NPSR1 (0.34) MAPTKCNH2TGFBR1PDE8ANPC1
SCHEMBL14075021 0.82 MAPT (0.38) MAPTGRM5FFAR1KCNH2PDE8A
SCHEMBL5013989 0.78 KCNH2 (0.39) FFAR1KCNH2NPC1RAB9AIDO1
SCHEMBL2385207 0.76 KDM4E (0.57) MAPTFFAR1KCNH2NPC1RAB9A
SCHEMBL5013995 0.75 TGFBR1 (0.38) KCNH2TGFBR1
SCHEMBL13330990 0.71 TGFBR1 (0.44) MAPTGRM5TGFBR1
SCHEMBL5014375 0.71 MAPT (0.41) MAPTGRM5IDO1AGXTDHODH
SCHEMBL13141049 0.70 IDO1 (0.42) KCNH2IDO1AGXT
SCHEMBL5014342 0.70 CYP2A6 (0.53) NPC1MEN1
SCHEMBL5012722 0.70 GABRA1 (0.39) KCNH2RAB9AADRA1A

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-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
EP-1830858-A2 3, 6-BICYCLOLIDES Enanta Pharmaceuticals, Inc. (US) 2007-09-12 EP disclosed
US-20060142214-A1 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. 2006-06-29 US disclosed
WO-2006063039-A2 3, 6-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2006-06-15 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 (1 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-20060142214-A1 3,6-bicyclolides ABCB11, CYP2B6, CYP3A7 MAPT 3856/4885GRM5 4209/4885FFAR1 1814/4885

“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.