SCHEMBL5017613

SCHEMBL5017613

NOC(C(N)=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 2/20 0.47
PSAT1 Q9Y617 2/20 0.47
PTGS2 P35354 1/20 0.47
ACP3 P15309 2/20 0.43
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
KDM4E B2RXH2 1/20 0.41
DHODH Q02127 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
IKBKB O14920 1/20 0.40
FFAR1 O14842 1/20 0.39

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
SCHEMBL5550527 0.88 CYP2D6 (0.46) SRRCYP1A2PKMCYP2C19
SCHEMBL5545851 0.84 RXRA (0.44) SRRPSAT1DHODHCYP1A2PKM
SCHEMBL1815681 0.84 PTGS2 (0.50) PTGS2ACP3CYP1A2GAACYP2C9
SCHEMBL11126462 0.81 ALDH1A1 (0.54) PTGS2ACP3CYP1A2GAACYP2C9
SCHEMBL5017615 0.75 UGT2B7 (0.46) CYP1A2
SCHEMBL5545790 0.75 BCAT2 (0.46) SRRPSAT1
SCHEMBL1657158 0.75 SRC (0.58) SRRPSAT1PTGS2ACP3CHRNB2
SCHEMBL9015288 0.75 PTGS2 (0.52) PTGS2ACP3CHRNB2CHRNA4DHODH
SCHEMBL7193261 0.75 PTGS2 (0.52) PTGS2ACP3CHRNB2CHRNA4DHODH
SCHEMBL14686240 0.74 CYP2D6 (0.50) SRRCYP1A2PKM

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 SRR 2533/4885PSAT1 2299/4885PTGS2 872/4885

“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.