SCHEMBL13312433

SCHEMBL13312433

Brc1ccc(-c2cc(NCCN3CCOCC3)c3ncccc3n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 4/20 0.61
L3MBTL1 Q9Y468 3/20 0.50
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMARCA2 P51531 3/20 0.48
LMNA P02545 3/20 0.48
MITF O75030 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
APAF1 O14727 1/20 0.44
CASP7 P55210 1/20 0.44
CASP9 P55211 1/20 0.44
CASP6 P55212 1/20 0.44

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
SCHEMBL13312431 0.87 ACP1 (0.57) ACP1L3MBTL1KDM4ENPC1RAB9A
SCHEMBL13312459 0.78 ACP1 (0.78) ACP1L3MBTL1KDM4ESMARCA2LMNA
SCHEMBL14259685 0.78 ACP1 (0.55) ACP1L3MBTL1KDM4ENPC1RAB9A
SCHEMBL30457841 0.76 ACP1 (1.00) ACP1SMARCA2LMNAKMT2AMEN1
SCHEMBL17651549 0.76 ACP1 (1.00) ACP1SMARCA2LMNAKMT2AMEN1
SCHEMBL23029597 0.72 ACP1 (0.80) ACP1KDM4ESMARCA2POLBHPGD
SCHEMBL3717784 0.71 ACP1 (0.47) ACP1NPC1RAB9ALMNAKMT2A
SCHEMBL14238525 0.70 TLR9 (0.75) ACP1LMNAKMT2AMEN1CYP1A2
SCHEMBL12120488 0.70 HRH3 (0.53) ACP1L3MBTL1KDM4ENPC1RAB9A
SCHEMBL15313060 0.69 LMNA (0.60) ACP1L3MBTL1KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160314-A1 Small Molecule Inhibitors of Toll-Like Receptor 9 LIPFORD GRAYSON B 2010-06-24 US disclosed
US-20100160314-A1 Small Molecule Inhibitors of Toll-Like Receptor 9 LIPFORD GRAYSON B 2010-06-24 US disclosed
WO-2008030455-A2 SMALL MOLECULE INHIBITORS OF TOLL-LIKE RECEPTOR 9 COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-03-13 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-20100160314-A1 Small Molecule Inhibitors of Toll-Like Receptor 9 TLR9, TLR3, TLR1 ACP1 176/4885L3MBTL1 1287/4885KDM4E 2032/4885

“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.