SCHEMBL13312459

SCHEMBL13312459

Brc1ccc2nc(-c3ccccc3)cc(NCCN3CCOCC3)c2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 6/20 0.78
SMARCA2 P51531 3/20 0.61
LMNA P02545 4/20 0.53
POLB P06746 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
MITF O75030 1/20 0.53
HPGD P15428 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP3A4 P08684 2/20 0.51
ACHE P22303 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CHRM1 P11229 1/20 0.51
CNR1 P21554 1/20 0.51
HTR2B P41595 1/20 0.51
KCNH2 Q12809 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PDE10A Q9Y233 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL30457841 0.88 ACP1 (1.00) ACP1SMARCA2LMNAKMT2AMEN1
SCHEMBL17651549 0.88 ACP1 (1.00) ACP1SMARCA2LMNAKMT2AMEN1
SCHEMBL13312463 0.83 ACP1 (0.71) ACP1SMARCA2LMNAPOLBKMT2A
SCHEMBL23029597 0.78 ACP1 (0.80) ACP1SMARCA2POLBHPGDCYP3A4
SCHEMBL13312433 0.78 ACP1 (0.61) ACP1SMARCA2LMNAPOLBKMT2A
SCHEMBL13312438 0.78 ACP1 (0.64) ACP1SMARCA2LMNAPOLBKMT2A
SCHEMBL17695160 0.76 ACP1 (1.00) ACP1SMARCA2
SCHEMBL13312485 0.76 ACP1 (0.70) ACP1LMNAPOLBKMT2AMEN1
SCHEMBL13312455 0.76 FLT3 (0.54) ACP1LMNAPOLBKMT2AMEN1
SCHEMBL13312436 0.74 ACP1 (0.59) ACP1SMARCA2LMNAPOLBKMT2A

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-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

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 176/4885SMARCA2 3652/4885LMNA 4393/4885

“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.