SCHEMBL4353130

SCHEMBL4353130

NOCc1ccc(-n2ccc(N)n2)nc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 13/20 0.38
EGLN1 Q9GZT9 5/20 0.38
AGXT P21549 8/20 0.37
CYP3A4 P08684 2/20 0.37

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
SCHEMBL20390770 0.81 EGLN1 (0.32) EGLN1
SCHEMBL13623262 0.81 NOS3 (0.36) EGLN1
SCHEMBL13615808 0.78 CPB2 (0.36) EGLN1
SCHEMBL1598470 0.76 LMNA (0.49) EGLN1
SCHEMBL13623581 0.75 GABRP (0.36) EGLN1
SCHEMBL20390799 0.75 GRIN2D (0.38)
Hydrochloric Acid SCHEMBL5038672 0.75 LMNA (0.48) IDO1EGLN1AGXT
SCHEMBL5014445 0.73 KCNJ1 (0.54) EGLN1
SCHEMBL17023389 0.72 GRIA1 (0.39)
SCHEMBL13623091 0.72 NOS3 (0.48)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231298-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-8383785-B2 Anti-bacterial activity of 9-hydroxy derivatives of 6,11-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2013-02-26 US disclosed
CN-102088848-A Antibacterial activity of 6, 11-bicyclic 9-hydroxy derivatives ENANTA PHARM INC 2011-06-08 CN disclosed
WO-2009137737-A2 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6, 11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. 2009-11-12 US 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 (2 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-20130231298-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 IDO1 623/4885EGLN1 388/4885AGXT 2210/4885
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 IDO1 623/4885EGLN1 388/4885AGXT 2210/4885

“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.