SCHEMBL3497221

SCHEMBL3497221

Oc1cc(-c2ccccc2)nc2ccc(Br)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.62
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 3/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 2/20 0.49
P4HB P07237 1/20 0.49
MEN1 O00255 1/20 0.49
ATM Q13315 1/20 0.49
PRNP P04156 3/20 0.48
PPARG P37231 2/20 0.48
NR2E3 Q9Y5X4 2/20 0.48
NCOR2 Q9Y618 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ESRRB O95718 1/20 0.47
ESR1 P03372 1/20 0.47
ESRRA P11474 1/20 0.47
ESR2 Q92731 1/20 0.47
DHODH Q02127 2/20 0.47
EPRS1 P07814 1/20 0.46

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
SCHEMBL26999154 0.89 RXFP1 (0.54) RXFP1ALDH1A1MAPTLMNAKMT2A
SCHEMBL4023007 0.85 RXFP1 (0.48) RXFP1ALDH1A1MAPTLMNAKMT2A
SCHEMBL16098115 0.83 POLB (0.51) RXFP1MAPTLMNAKMT2AGAA
SCHEMBL13774334 0.83 RXFP1 (0.61) RXFP1ALDH1A1MAPTLMNAKMT2A
SCHEMBL30064742 0.83 RXFP1 (0.61) RXFP1ALDH1A1MAPTLMNAKMT2A
SCHEMBL9610043 0.81 RXFP1 (0.60) RXFP1ALDH1A1MAPTLMNAKMT2A
SCHEMBL1256551 0.80 ACHE (0.61) LMNADHODHKDM4EHPGDSMN1; SMN2
SCHEMBL3625999 0.80 DHODH (0.62) ALDH1A1MAPTLMNAKMT2AGAA
SCHEMBL18285493 0.80 RXFP1 (0.58) RXFP1ALDH1A1MAPTLMNAKMT2A
SCHEMBL10610649 0.80 KDM4E (0.66) ALDH1A1MAPTLMNAKMT2AGAA

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 RXFP1 2581/4885ALDH1A1 4793/4885MAPT 3558/4885

“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.