SCHEMBL13615808

SCHEMBL13615808

CC(C)Cc1ccc(-n2ccc(N)n2)nc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 7/20 0.36
GRIA1 P42261 4/20 0.35
CPA1 P15085 2/20 0.34
EGLN1 Q9GZT9 1/20 0.34
HCAR2 Q8TDS4 2/20 0.33
CPB1 P15086 2/20 0.33
PANK3 Q9H999 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
EPHX1 P07099 1/20 0.30
XDH P47989 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL10130923 0.84 MAPT (0.44) GRIA1EGLN1HCAR2PANK3S1PR1
SCHEMBL13623262 0.83 NOS3 (0.36) GRIA1EGLN1ALDH1A1TDP1
SCHEMBL20390770 0.80 EGLN1 (0.32) GRIA1EGLN1
SCHEMBL10130925 0.79 IDH1 (0.38) GRIA1HCAR2
SCHEMBL4353130 0.78 IDO1 (0.38) EGLN1
SCHEMBL13623581 0.77 GABRP (0.36) GRIA1EGLN1
SCHEMBL13615879 0.77 EGLN1 (0.38) GRIA1EGLN1HCAR2ALDH1A1
SCHEMBL10130939 0.77 CYP11B1 (0.40) EGLN1ALDH1A1TDP1
SCHEMBL10130936 0.77 GRIA1 (0.35) GRIA1HCAR2ALDH1A1TDP1
SCHEMBL14207819 0.77 EGLN1 (0.41) CPB2CPA1EGLN1HCAR2CPB1

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
US-8383785-B2 Anti-bacterial activity of 9-hydroxy derivatives of 6,11-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2013-02-26 US disclosed
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. 2009-11-12 US 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 CPB2 885/4885GRIA1 4825/4885CPA1 2054/4885
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 CPB2 885/4885GRIA1 4825/4885CPA1 2054/4885

“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.