SCHEMBL2200719

SCHEMBL2200719

CCOc1ccccc1-c1cc(C(=O)NCCc2ccc(OC)c(OC)c2)cc(-n2cnnn2)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 2/20 0.51
HTT P42858 1/20 0.48
TP53 P04637 3/20 0.48
THRB P10828 1/20 0.48
MAPT P10636 4/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPK1 P28482 3/20 0.47
GAA P10253 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 1/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL2204462 0.90 MAPT (0.50) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL2205222 0.89 MAPT (0.49) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL2204375 0.89 MAPK1 (0.57) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL2202302 0.89 MAPT (0.48) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL15327627 0.89 MEN1 (0.53) MEN1KMT2AALDH1A1HTTTP53
SCHEMBL2204003 0.88 ALDH1A1 (0.52) ALDH1A1TP53MAPTHPGDLMNA
SCHEMBL2204350 0.88 SMN1; SMN2 (0.48) ALDH1A1TP53THRBMAPTHPGD
SCHEMBL2206285 0.88 MAPK1 (0.57) KMT2AALDH1A1TP53MAPTHPGD
SCHEMBL2204371 0.88 RAB9A (0.48) KMT2AALDH1A1TP53MAPTHPGD
SCHEMBL2204149 0.88 MAPK1 (0.49) ALDH1A1TP53MAPTHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981914-B2 Tetrazole-substituted aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2011-07-19 US claimed
US-20090093523-A1 Tetrazole-substituted aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC 2009-04-09 US claimed
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
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 MEN1 1261/4885KMT2A 1756/4885ALDH1A1 380/4885

“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.