SCHEMBL3499713

SCHEMBL3499713

Oc1cc(-c2ccc(Br)cc2)nc2cccnc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 8/20 0.53
KDM4E B2RXH2 4/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SYK P43405 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
AGTR1 P30556 1/20 0.41
OPRK1 P41145 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
EPRS1 P07814 1/20 0.40

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
SCHEMBL13312432 0.82 TOP1 (0.53) TOP1KDM4ELMNASYKMAPT
SCHEMBL16098115 0.76 POLB (0.51) KDM4ELMNAMEN1KMT2AMAPT
SCHEMBL3499715 0.76 SYK (0.43) KDM4ELMNAMEN1KMT2ANPC1
SCHEMBL5257685 0.73 KDM4E (0.50) TOP1KDM4ELMNAMEN1KMT2A
SCHEMBL3281450 0.73 SYK (0.55) KDM4ELMNAMEN1KMT2ASYK
SCHEMBL30625771 0.70 MMP2 (0.46) TOP1KDM4ELMNAMEN1KMT2A
SCHEMBL6636369 0.70 PRMT5 (0.50) TOP1KDM4ENPC1RAB9AL3MBTL1
SCHEMBL28008057 0.70 METAP2 (0.46) TOP1KDM4ELMNAMEN1KMT2A
SCHEMBL28182820 0.70 PRMT5 (0.42) TOP1KDM4ELMNAMEN1KMT2A
SCHEMBL15919447 0.70 KMT2A (0.46) LMNAMEN1KMT2AMAPTEPRS1

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 6 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
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
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 TOP1 1851/4885KDM4E 2032/4885LMNA 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.