SCHEMBL3499715

SCHEMBL3499715

Oc1cc(-c2ccc(Br)cc2)nc2ncccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 4/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AGTR1 P30556 2/20 0.38
MCL1 Q07820 2/20 0.38
HSP90AA1 P07900 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
OPRK1 P41145 1/20 0.38
ACHE P22303 2/20 0.38

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
SCHEMBL17232207 0.81 ACHE (0.51) SYKMEN1KMT2AKDM4ELMNA
SCHEMBL12424719 0.76 CCR1 (0.47) KDM4ELMNATP53SMN1; SMN2NPC1
SCHEMBL16098115 0.76 POLB (0.51) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL3499713 0.76 TOP1 (0.53) SYKMEN1KMT2AKDM4ELMNA
SCHEMBL3281450 0.76 SYK (0.55) SYKMEN1KMT2AKDM4ELMNA
SCHEMBL2302448 0.73 NPC1 (0.40) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL5308817 0.72 HTT (0.46) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL12424712 0.72 KDM4E (0.51) KDM4ENPC1
SCHEMBL12424718 0.72 CCR1 (0.47) ACHEBCHEHTT
SCHEMBL6004749 0.71 CYP1A2 (0.41) MEN1KMT2AKDM4ENPC1ALDH1A1

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
EP-2081924-A2 SMALL MOLECULE INHIBITORS OF TOLL-LIKE RECEPTOR 9 Coley Pharmaceutical Group, Inc. (US) 2009-07-29 EP 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 SYK 24/4885MEN1 4092/4885KMT2A 2253/4885

“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.