SCHEMBL5017674

SCHEMBL5017674

NOCc1cccc(-n2cccn2)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
AGXT P21549 11/20 0.53
MPO P05164 1/20 0.48
HCRTR1 O43613 2/20 0.45
HCRTR2 O43614 2/20 0.45
IDO1 P14902 10/20 0.45
CYP3A4 P08684 2/20 0.45
GLS O94925 1/20 0.45

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
SCHEMBL19250953 0.84 LMNA (0.53) LMNAMPOHCRTR1HCRTR2GLS
SCHEMBL1793682 0.82 LMNA (0.78) LMNAMPOHCRTR1HCRTR2GLS
Hydrochloric Acid SCHEMBL5656437 0.81 LMNA (0.76) LMNAMPOHCRTR1HCRTR2GLS
SCHEMBL14074977 0.81 LMNA (0.50) LMNAMPOHCRTR1HCRTR2GLS
SCHEMBL19251351 0.81 LMNA (0.50) LMNAMPOHCRTR1HCRTR2GLS
SCHEMBL5224259 0.79 LMNA (0.62) LMNAMPOHCRTR1HCRTR2GLS
SCHEMBL15602026 0.79 LMNA (0.57) LMNAMPOHCRTR1HCRTR2GLS
SCHEMBL17629558 0.79 LMNA (0.57) LMNAMPOHCRTR1HCRTR2GLS
SCHEMBL27778663 0.79 LMNA (0.57) LMNAMPOHCRTR1HCRTR2GLS
SCHEMBL327273 0.79 LMNA (0.57) LMNAMPOHCRTR1HCRTR2GLS

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 LMNA 3712/4885AGXT 1676/4885MPO 1550/4885

“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.