SCHEMBL3499729

SCHEMBL3499729

Oc1nc(-c2ccccc2)nc2cc(Br)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.46
ABCB1 P08183 1/20 0.46
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP1B1 Q16678 1/20 0.45
PTGES O14684 2/20 0.45
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ATM Q13315 1/20 0.41
NTSR1 P30989 1/20 0.41
RXFP1 Q9HBX9 3/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
WHR1 P49842 1/20 0.40
PRNP P04156 2/20 0.40
PPARG P37231 1/20 0.40
NR2E3 Q9Y5X4 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL13312468 0.89 KMT2A (0.49) ABCG2ABCB1CYP1A1CYP1A2CYP1B1
SCHEMBL14358473 0.84 CYP11B1 (0.49) CYP1A2MEN1KMT2ARXFP1MAPT
SCHEMBL25382436 0.83 ABCG2 (0.55) ABCG2ABCB1CYP1A1CYP1A2CYP1B1
SCHEMBL30361125 0.83 ABCG2 (0.55) ABCG2ABCB1CYP1A1CYP1A2CYP1B1
SCHEMBL18455539 0.82 KMT2A (0.55) ABCG2ABCB1CYP1A1CYP1A2CYP1B1
SCHEMBL29870133 0.81 ABCG2 (0.54) ABCG2MEN1KMT2AATMMAPT
SCHEMBL2837651 0.81 ABCG2 (0.54) ABCG2MEN1KMT2AATMMAPT
SCHEMBL13312483 0.81 HTT (0.47) ABCG2ABCB1CYP1A1CYP1A2CYP1B1
SCHEMBL19895346 0.81 NPC1 (0.54) ABCG2MAPTTP53SMN1; SMN2
SCHEMBL26999154 0.77 RXFP1 (0.54) CYP1A2PTGESMEN1KMT2AATM

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 ABCG2 3700/4885ABCB1 3983/4885CYP1A1 4833/4885

“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.