SCHEMBL5014375

SCHEMBL5014375

NOCc1cccc(-c2ccc(F)nc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
GRM5 P41594 3/20 0.39
AGXT P21549 3/20 0.36
IDO1 P14902 2/20 0.36
SCN9A Q15858 3/20 0.36
TRPV3 Q8NET8 1/20 0.36
DHODH Q02127 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
JAK2 O60674 1/20 0.35
RET P07949 1/20 0.35
KDR P35968 1/20 0.35
GSK3A P49840 1/20 0.35
RPS6KA3 P51812 1/20 0.35
LIMK1 P53667 1/20 0.35
MAP2K1 Q02750 1/20 0.35
DYRK1A Q13627 1/20 0.35
MAPK14 Q16539 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
ALK Q9UM73 1/20 0.35
DYRK1B Q9Y463 1/20 0.35

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
SCHEMBL31514158 0.85 MAPT (0.55) MAPTGRM5SCN9ATRPV3DHODH
SCHEMBL5012773 0.84 MAP4K4 (0.41) MAPTSCN9ATRPV3DHODH
SCHEMBL14075011 0.83 MAPT (0.40) MAPTGRM5SCN9ATRPV3DHODH
SCHEMBL31514156 0.80 MAPT (0.43) MAPTGRM5TRPV3DHODHJAK2
SCHEMBL19582934 0.77 SCN9A (0.38) MAPTGRM5SCN9ATRPV3DHODH
SCHEMBL5014342 0.76 CYP2A6 (0.53)
SCHEMBL13680846 0.75 MAPT (0.40) MAPTGRM5SCN9ATRPV3DHODH
SCHEMBL5014400 0.75 ABL1 (0.34) MAPTAGXTIDO1
SCHEMBL20390897 0.74 ASIC3 (0.53) MAPTDHODHJAK2RETKDR
SCHEMBL13141049 0.73 IDO1 (0.42) AGXTIDO1

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 4209/4885AGXT 1676/4885

“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.