SCHEMBL2204261

SCHEMBL2204261

COc1ccccc1-c1cc(C(=O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 1/20 0.47
TP53 P04637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
TTR P02766 1/20 0.45
ALOX5 P09917 2/20 0.45
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
EPHX1 P07099 1/20 0.44
LMNA P02545 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44

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
SCHEMBL3656808 0.94 MAPT (0.52) KMT2AMEN1AKR1C3AKR1C2SMN1; SMN2
SCHEMBL3652266 0.93 KMT2A (0.50) KMT2AMEN1AKR1C3AKR1C2SMN1; SMN2
SCHEMBL2203695 0.88 LMNA (0.55) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3647093 0.84 EGLN1 (0.52) ALDH1A1TTRKDM4EHPGDEGLN1
SCHEMBL5924712 0.84 EGLN1 (0.52) ALDH1A1TTRKDM4EHPGDEGLN1
SCHEMBL27846387 0.82 TP53 (0.50) KMT2AMEN1AKR1C3AKR1C2SMN1; SMN2
SCHEMBL3659810 0.82 MAPT (0.50) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3652268 0.82 KMT2A (0.49) KMT2AMEN1AKR1C3AKR1C2SMN1; SMN2
SCHEMBL4486234 0.80 MEN1 (0.50) KMT2AMEN1AKR1C3AKR1C2SMN1; SMN2
SCHEMBL26355868 0.79 TP53 (0.47) KMT2AMEN1AKR1C3AKR1C2SMN1; SMN2

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 KMT2A 1756/4885MEN1 1261/4885AKR1C3 408/4885

“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.