SCHEMBL10107545

SCHEMBL10107545

CCCCOc1c(NCCC)nc(N(C)C)c(C)c1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.34
TLR7 Q9NYK1 6/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK1 P28482 1/20 0.33
HCAR3 P49019 2/20 0.33
THRA P10827 2/20 0.32
THRB P10828 2/20 0.32
SLC6A5 Q9Y345 1/20 0.32

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
SCHEMBL14679403 0.85 FAAH (0.38) TLR7CYP3A4CYP2D6NPC1
SCHEMBL13154632 0.72 THRA (0.46) THRATHRB
SCHEMBL10107621 0.71 BRD4 (0.37) TLR8TLR7KDM4EALDH1A1HPGD
SCHEMBL10107617 0.69 FAAH (0.39) ALDH1A1HPGDHSD17B10CYP2D6RAB9A
SCHEMBL13074563 0.68 THRA (0.42) KDM4EALDH1A1HSD17B10CYP2D6SMN1; SMN2
SCHEMBL10107486 0.67 LMNA (0.41) ALDH1A1CYP3A4CYP2D6SMN1; SMN2NPC1
SCHEMBL13074565 0.65 THRA (0.42) KDM4EALDH1A1HSD17B10CYP2D6SMN1; SMN2
SCHEMBL5589802 0.63 THRA (0.41) THRATHRB
SCHEMBL5588403 0.63 THRA (0.41) THRATHRB
SCHEMBL9589236 0.63 HCAR3 (0.42) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108569-A1 8-AZA Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-03 US disclosed
WO-2010129055-A1 8-AZA TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2010-11-11 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-20120108569-A1 8-AZA Tetracycline Compounds TET1, TET3, HDAC8 TLR8 41/4885TLR7 266/4885KDM4E 195/4885

“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.