SCHEMBL13312463

SCHEMBL13312463

CN1CCN(c2ccc3nc(-c4ccccc4)cc(NCCN4CCOCC4)c3c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 5/20 0.71
TLR9 Q9NR96 6/20 0.59
SMARCA2 P51531 3/20 0.56
LMNA P02545 4/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP3A4 P08684 2/20 0.49
MEN1 O00255 1/20 0.49
MITF O75030 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CHRM1 P11229 1/20 0.49
CNR1 P21554 1/20 0.49
ACHE P22303 1/20 0.49
HTR2B P41595 1/20 0.49
KCNH2 Q12809 1/20 0.49
TDP1 Q9NUW8 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
SCHEMBL14259833 0.90 ACP1 (0.70) ACP1SMARCA2
SCHEMBL30457841 0.83 ACP1 (1.00) ACP1SMARCA2LMNAKMT2AMEN1
SCHEMBL17651549 0.83 ACP1 (1.00) ACP1SMARCA2LMNAKMT2AMEN1
SCHEMBL13312459 0.83 ACP1 (0.78) ACP1SMARCA2LMNAKMT2AKDM4E
SCHEMBL13312436 0.82 ACP1 (0.59) ACP1TLR9SMARCA2LMNAKMT2A
SCHEMBL13312431 0.81 ACP1 (0.57) ACP1TLR9SMARCA2LMNAKMT2A
SCHEMBL13312480 0.78 TLR9 (0.84) ACP1TLR9LMNAKMT2ACYP3A4
SCHEMBL23029597 0.77 ACP1 (0.80) ACP1SMARCA2KDM4ECYP3A4POLB
SCHEMBL15521696 0.76 KDM4E (0.76) TLR9LMNAKDM4EPOLBHPGD
SCHEMBL13312422 0.76 TLR9 (0.58) ACP1TLR9LMNAKMT2AKDM4E

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 176/4885TLR9 1/4885SMARCA2 3652/4885

“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.