SCHEMBL2204744

SCHEMBL2204744

COC(=O)c1cc(N)cc(-c2ccccc2OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ERN1 O75460 1/20 0.45
KAT6A Q92794 1/20 0.44
FGFR1 P11362 1/20 0.44
SRC P12931 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR4 P22455 1/20 0.44
FGFR3 P22607 1/20 0.44
PTPRC P08575 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN5 P54829 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ICMT O60725 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL3508583 0.90 POLB (0.55) ADORA3POLBHPGDNPSR1TSHR
SCHEMBL3659810 0.88 MAPT (0.50) POLBSMN1; SMN2L3MBTL1
SCHEMBL27539635 0.84 HPGD (0.50) ADORA3POLBHPGDNPSR1TSHR
SCHEMBL5621425 0.83 ATAD2 (0.39) ATAD2ADORA3POLBHPGDNPSR1
SCHEMBL5099239 0.83 ATAD2 (0.47) ATAD2HPGDTSHRPTPRCPTPN1
SCHEMBL28414519 0.83 SLC6A4 (0.49) ADORA3POLBHPGDNPSR1SMN1; SMN2
SCHEMBL28414150 0.83 FGFR1 (0.47) ADORA3POLBHPGDNPSR1TSHR
SCHEMBL28418982 0.83 ADORA3 (0.46) ADORA3POLBHPGDNPSR1TSHR
SCHEMBL6082944 0.81 KAT6A (0.60) TSHRERN1KAT6AFGFR1SRC
SCHEMBL2723920 0.80 TSHR (0.53) ATAD2HPGDTSHRPTPN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205573-B1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-7981914-B2 Tetrazole-substituted aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2011-07-19 US disclosed
US-7981914-B2 Tetrazole-substituted aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2011-07-19 US disclosed
US-7981914-B2 Tetrazole-substituted aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2011-07-19 US disclosed
EP-2205573-A1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
US-20090093523-A1 Tetrazole-substituted aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC 2009-04-09 US disclosed
US-20090093523-A1 Tetrazole-substituted aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC 2009-04-09 US disclosed
US-20090093523-A1 Tetrazole-substituted aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC 2009-04-09 US disclosed
WO-2009043780-A1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-04-09 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-20090093523-A1 Tetrazole-substituted aryl amide derivatives and uses thereof AR, NAT1, TBXA2R ATAD2 549/4885ADORA3 190/4885POLB 3956/4885

“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.