SCHEMBL3498769

SCHEMBL3498769

Oc1cc(O)c2cccc(Br)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
NQO2 P16083 3/20 0.39
MYC P01106 1/20 0.38
MAX P61244 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
HSP90AA1 P07900 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TRPM4 Q8TD43 1/20 0.36
BACE1 P56817 1/20 0.36
GUSB P08236 1/20 0.35

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
SCHEMBL30612099 0.81 MAPT (0.47) MAPTGAAENPP3ENPP1SMN1; SMN2
SCHEMBL5249809 0.81 MAPT (0.57) MAPTGAAENPP3ENPP1NQO2
SCHEMBL26103062 0.81 MAPT (0.47) MAPTGAAENPP3ENPP1SMN1; SMN2
SCHEMBL31347015 0.79 MAPT (0.39) MAPTGAAENPP3ENPP1NQO2
SCHEMBL26107319 0.79 MAPT (0.39) MAPTGAAENPP3ENPP1NQO2
SCHEMBL31327745 0.78 ENPP3 (0.48) MAPTGAAENPP3ENPP1NQO2
SCHEMBL28858276 0.78 ENPP3 (0.48) MAPTGAAENPP3ENPP1NQO2
SCHEMBL31266885 0.78 KDM4E (0.54) SMN1; SMN2MEN1KMT2AKDM4EHTT
SCHEMBL28479641 0.78 MAPT (0.44) MAPTGAAENPP3ENPP1NQO2
SCHEMBL3631562 0.78 CCR6 (0.44) MAPTGAASMN1; SMN2MEN1KMT2A

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 18 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-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 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
US-7153865-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2006-12-26 US disclosed
US-7091214-B2 Aryl substituted Imidazoquinolines 3M INNOVATIVE PROPERTIES CO. (US) 2006-08-15 US disclosed
US-7060834-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2006-06-13 US disclosed
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2006-05-25 US disclosed
EP-1590348-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2005-11-02 EP disclosed
US-20050131020-A1 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2005-06-16 US disclosed
EP-1430030-B1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2005-05-18 EP disclosed
US-20040266819-A1 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2004-12-30 US disclosed
US-20040147543-A1 Aryl substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-07-29 US disclosed
WO-2004058759-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-15 WO disclosed
EP-1430030-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2004-06-23 EP disclosed
EP-1430029-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2004-06-23 EP disclosed
WO-2003018561-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2003-03-06 WO disclosed
WO-2003018560-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2003-03-06 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 (5 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-20040266819-A1 N-type calcium channel antagonists for the treatment of pain CACNA1E, CACNA1B, CACNA1G MAPT 2685/4885GAA 3720/4885ENPP3 2054/4885
US-20050131020-A1 N-type calcium channel antagonists for the treatment of pain CACNA1E, CACNA1B, CACNA1A MAPT 2489/4885GAA 4454/4885ENPP3 1821/4885
US-20040147543-A1 Aryl substituted imidazoquinolines IL2, IFNG, IRF3 MAPT 4429/4885GAA 1193/4885ENPP3 1775/4885
US-20100160314-A1 Small Molecule Inhibitors of Toll-Like Receptor 9 TLR9, TLR3, TLR1 MAPT 3558/4885GAA 3505/4885ENPP3 1740/4885
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 MAPT 4429/4885GAA 1193/4885ENPP3 1775/4885

“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.