SCHEMBL5017615

SCHEMBL5017615

NOC(C(N)=O)c1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.46
EPHX1 P07099 1/20 0.45
AOC3 Q16853 1/20 0.44
TNF P01375 1/20 0.43
MMP9 P14780 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
CYP2D6 P10635 4/20 0.41
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A3 Q01959 4/20 0.41
CYP3A4 P08684 3/20 0.41
KCNH2 Q12809 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
ATM Q13315 1/20 0.40
CES2 O00748 1/20 0.40

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
SCHEMBL5716820 0.80 UGT2B7 (0.53) UGT2B7EPHX1AOC3TNFMMP9
SCHEMBL5550527 0.77 CYP2D6 (0.46) EPHX1CYP2D6SLC6A3CYP3A4KMT2A
SCHEMBL8120372 0.77 UGT2B7 (0.50) UGT2B7EPHX1AOC3TNFMMP9
SCHEMBL7478288 0.75 UGT2B7 (0.48) UGT2B7EPHX1AOC3TNFMMP9
SCHEMBL29941609 0.75 UGT2B7 (0.58) UGT2B7EPHX1MMP9CYP1A2TSHR
SCHEMBL5017613 0.75 SRR (0.47) CYP1A2
SCHEMBL1137612 0.75 UGT2B7 (0.58) UGT2B7EPHX1MMP9CYP1A2TSHR
SCHEMBL5545851 0.75 RXRA (0.44) CYP2D6CYP1A2
Hydrochloric Acid SCHEMBL5969924 0.74 UGT2B7 (0.56) UGT2B7EPHX1MMP9SLC6A2SLC6A4
SCHEMBL6740891 0.72 UTS2R (0.51) UGT2B7MMP9CYP2D6SLC6A2SLC6A4

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 UGT2B7 8/4885EPHX1 589/4885AOC3 2703/4885

“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.