SCHEMBL2204512

SCHEMBL2204512

COc1ccc(CCNC(=O)c2cc(-c3cc(Cl)ccc3OC)cc(-n3cnnn3)c2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
MAPT P10636 3/20 0.51
POLB P06746 3/20 0.51
TP53 P04637 2/20 0.49
LMNA P02545 2/20 0.49
THRB P10828 1/20 0.49
ALDH1A1 P00352 3/20 0.49
CNR1 P21554 1/20 0.48
MAPK1 P28482 1/20 0.47
ABCB1 P08183 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DNMT3A Q9Y6K1 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL2203137 0.95 GAA (0.56) GAAMAPTPOLBTP53LMNA
SCHEMBL2206210 0.93 GAA (0.56) GAAMAPTPOLBTP53LMNA
SCHEMBL2203072 0.91 GAA (0.62) GAAMAPTPOLBTP53LMNA
SCHEMBL2205307 0.90 MAPT (0.52) GAAMAPTPOLBLMNAALDH1A1
SCHEMBL2203911 0.90 ALDH1A1 (0.49) GAAMAPTPOLBTP53LMNA
SCHEMBL2204003 0.89 ALDH1A1 (0.52) GAAMAPTTP53LMNAALDH1A1
SCHEMBL15327622 0.88 GAA (0.48) GAAMAPTPOLBTP53LMNA
SCHEMBL2202863 0.88 SMN1; SMN2 (0.52) GAAMAPTTP53LMNATHRB
SCHEMBL2205900 0.87 ALDH1A1 (0.51) GAAMAPTPOLBTP53LMNA
SCHEMBL2203595 0.86 MAPT (0.53) GAAMAPTPOLBLMNAALDH1A1

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
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
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 GAA 1875/4885MAPT 1160/4885POLB 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.