SCHEMBL596358

SCHEMBL596358

N#Cc1ccc(Oc2ccc(Br)c(CO)c2)nc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.49
OPRM1 P35372 1/20 0.44
MAP4K4 O95819 2/20 0.38
FPR2 P25090 1/20 0.38
SCN9A Q15858 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
SCN7A Q01118 2/20 0.35
KCNH2 Q12809 2/20 0.35
P2RX3 P56373 5/20 0.35
THRB P10828 1/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL19622206 0.85 PDE4B (0.49) PDE4BOPRM1MAP4K4FPR2SCN9A
SCHEMBL18808793 0.82 PDE4B (0.47) PDE4BOPRM1MAP4K4FPR2SCN9A
SCHEMBL595139 0.82 PARP15 (0.44) PDE4BSCN9AKDM4ECYP11B1CYP11B2
SCHEMBL11993080 0.80 KDM4E (0.43) THRBKDM4EALDH1A1HPGDCYP11B1
SCHEMBL3177956 0.78 OPRM1 (0.58) PDE4BOPRM1MAP4K4FPR2SCN9A
SCHEMBL2527088 0.78 ALDH1A1 (0.55) OPRM1SCN9ATHRBHTTKDM4E
SCHEMBL2529786 0.77 PDE4B (0.46) PDE4BOPRM1MAP4K4FPR2SCN9A
SCHEMBL3172303 0.76 OPRM1 (0.51) PDE4BOPRM1MAP4K4HRH3KCNH2
Acetic Acid SCHEMBL28488605 0.75 PARP15 (0.44) SCN9ASCN7AKCNH2KDM4EALDH1A1
SCHEMBL2526742 0.74 KCNH2 (0.48) KCNH2

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240358728-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC (US) 2024-10-31 US disclosed
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2023-01-12 US disclosed
US-20210000847-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2021-01-07 US disclosed
US-20200179418-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2020-06-11 US disclosed
US-20200046745-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2020-02-13 US disclosed
US-20190282594-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2019-09-19 US disclosed
US-20190160081-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2019-05-30 US disclosed
US-20170258819-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. 2017-09-14 US disclosed
US-9682092-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
US-20170066787-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2017-03-09 US disclosed
US-7767657-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
EP-2044091-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE Anacor Pharmaceuticals, Inc. (US) 2009-04-08 EP disclosed
EP-1988779-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS Anacor Pharmaceuticals, Inc. (US) 2008-11-12 EP disclosed
EP-1976536-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2008-10-08 EP disclosed
WO-2007146965-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE ANACOR PHARMACEUTICALS, INC. (US) 2007-12-21 WO disclosed
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2007-12-20 US disclosed
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease ANACOR PHARMACEUTICALS INC. (US) 2007-12-13 US disclosed
WO-2007095638-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2007-08-23 WO disclosed
WO-2007078340-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2007-07-12 WO disclosed
US-20070155699-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2007-07-05 US 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 (12 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-20170066787-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 PDE4B 4444/4885OPRM1 4706/4885MAP4K4 3293/4885
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease BPGM, HMBS, PPIP5K2 PDE4B 1043/4885OPRM1 3958/4885MAP4K4 4084/4885
US-20190160081-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA PDE4B 948/4885OPRM1 2056/4885MAP4K4 1874/4885
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA PDE4B 948/4885OPRM1 2056/4885MAP4K4 1874/4885
US-20200046745-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA PDE4B 948/4885OPRM1 2056/4885MAP4K4 1874/4885
US-20200179418-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA PDE4B 948/4885OPRM1 2056/4885MAP4K4 1874/4885
US-20240358728-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA PDE4B 948/4885OPRM1 2056/4885MAP4K4 1874/4885
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, TNF PDE4B 1058/4885OPRM1 2000/4885MAP4K4 1870/4885
US-20070155699-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 PDE4B 4444/4885OPRM1 4706/4885MAP4K4 3293/4885
US-20170258819-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, TNF PDE4B 1058/4885OPRM1 2000/4885MAP4K4 1870/4885
US-20190282594-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA PDE4B 948/4885OPRM1 2056/4885MAP4K4 1874/4885
US-20210000847-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA PDE4B 948/4885OPRM1 2056/4885MAP4K4 1874/4885

“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.