SCHEMBL13659783

SCHEMBL13659783

CC(C)c1ccc(-n2ccc(N)n2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
SCN4A P35499 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDO2 P48775 1/20 0.32
KDM1A O60341 4/20 0.32
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
NOTUM Q6P988 1/20 0.31

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
SCHEMBL13662873 0.86 ALDH1A1 (0.43) ALDH1A1GAAMEN1KMT2AL3MBTL1
SCHEMBL13662869 0.80 ALDH1A1 (0.39) ALDH1A1GAANPC1RAB9AMEN1
SCHEMBL2357923 0.79 ALDH1A1 (0.41) ALDH1A1GAAHTTNPC1RAB9A
SCHEMBL29571818 0.79 ALDH1A1 (0.41) ALDH1A1GAAHTTNPC1RAB9A
SCHEMBL16362013 0.78 KDM4E (0.32) ALDH1A1MEN1KMT2A
SCHEMBL1799291 0.76 KCNH2 (0.38) ALDH1A1HTTMEN1KMT2AL3MBTL1
SCHEMBL20390882 0.76 NOS3 (0.38) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL13822165 0.76 NOS3 (0.38) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL29572092 0.75 ALDH1A1 (0.38) ALDH1A1GAARAB9AMEN1KMT2A
SCHEMBL15638709 0.75 ALDH1A1 (0.38) ALDH1A1GAARAB9AMEN1KMT2A

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 9 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-8785457-B2 Pyrimidine derivatives as mTOR inhibitors CELLZOME LIMITED (GB) 2014-07-22 US 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-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-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
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 (4 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 ALDH1A1 1310/4885GAA 358/4885ALOX12 1076/4885
US-20140187780-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 ALDH1A1 1310/4885GAA 358/4885ALOX12 1076/4885
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 ALDH1A1 1128/4885GAA 396/4885ALOX12 878/4885
US-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 ALDH1A1 1310/4885GAA 358/4885ALOX12 1076/4885

“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.