SCHEMBL13615879

SCHEMBL13615879

CC(C)c1ccc(-n2ccc(N)n2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.38
GRIA1 P42261 6/20 0.35
ACACB O00763 1/20 0.33
NOTUM Q6P988 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
HIF1A Q16665 1/20 0.33
DGAT1 O75907 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
OGA O60502 2/20 0.32
TDO2 P48775 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL20391134 0.85 ALDH1A1 (0.39) EGLN1GRIA1ALDH1A1GAAMEN1
SCHEMBL889374 0.82 GRIA1 (0.43) EGLN1GRIA1ACACBNOTUMOGA
SCHEMBL890209 0.82 MAPT (0.47) EGLN1GRIA1ACACBNOTUMALDH1A1
SCHEMBL18948574 0.78 EGLN1 (0.36) EGLN1GRIA1ACACBNOTUM
SCHEMBL13623091 0.78 NOS3 (0.48) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL20390799 0.78 GRIN2D (0.38) OGA
SCHEMBL13615808 0.77 CPB2 (0.36) EGLN1GRIA1ALDH1A1HCAR2
SCHEMBL20392745 0.77 IDH1 (0.40) EGLN1GRIA1NPC1MAPTRAB9A
SCHEMBL13659737 0.76 NOTUM (0.51) NOTUMALDH1A1GAAALOX12HTT
SCHEMBL18782798 0.76 GRIA1 (0.39) EGLN1GRIA1ACACBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203435-B1 6, 11-BRIDGED BIARYL MACROLIDES ENANTA PHARM INC (US) 2018-07-18 EP disclosed
US-20140187780-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
US-20130165641-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2013-06-27 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-8354383-B2 6,11-bridged biaryl macrolides ENANTA PHARMACEUTICALS, INC. (US) 2013-01-15 US disclosed
US-8354383-B2 6,11-bridged biaryl macrolides ENANTA PHARMACEUTICALS, INC. (US) 2013-01-15 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-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-10-22 US disclosed
WO-2009075923-A2 6, 11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2009-06-18 WO disclosed
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-05-07 US disclosed
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-05-07 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 (5 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-20130165641-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 EGLN1 2246/4885GRIA1 4502/4885ACACB 525/4885
US-20140187780-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 EGLN1 2246/4885GRIA1 4502/4885ACACB 525/4885
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 EGLN1 2163/4885GRIA1 4477/4885ACACB 602/4885
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 EGLN1 388/4885GRIA1 4825/4885ACACB 1575/4885
US-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 EGLN1 2246/4885GRIA1 4502/4885ACACB 525/4885

“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.