SCHEMBL2203072

SCHEMBL2203072

COc1ccc(CCNC(=O)c2cc(-c3ccc(Cl)cc3)cc(-n3cnnn3)c2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.62
TP53 P04637 2/20 0.55
THRB P10828 1/20 0.55
LMNA P02545 2/20 0.55
MCHR1 Q99705 1/20 0.52
ALDH1A1 P00352 3/20 0.51
POLB P06746 2/20 0.50
ABCB1 P08183 1/20 0.50
CNR1 P21554 1/20 0.50
MAPK1 P28482 1/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL2203866 0.92 TP53 (0.53) GAATP53LMNAALDH1A1POLB
SCHEMBL2203582 0.92 MAPT (0.56) GAATP53LMNAALDH1A1POLB
SCHEMBL2204512 0.91 GAA (0.57) GAATP53THRBLMNAALDH1A1
SCHEMBL2206210 0.90 GAA (0.56) GAATP53THRBLMNAALDH1A1
SCHEMBL2203137 0.90 GAA (0.56) GAATP53THRBLMNAALDH1A1
SCHEMBL15327658 0.88 LMNA (0.54) GAATP53THRBLMNAMCHR1
SCHEMBL2204003 0.87 ALDH1A1 (0.52) GAATP53LMNAALDH1A1MAPK1
SCHEMBL2202863 0.86 SMN1; SMN2 (0.52) GAATP53THRBLMNAALDH1A1
SCHEMBL2205900 0.85 ALDH1A1 (0.51) GAATP53LMNAALDH1A1POLB
SCHEMBL2205307 0.85 MAPT (0.52) GAALMNAALDH1A1POLBMAPK1

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 8 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
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 1875/4885TP53 3030/4885THRB 275/4885

“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.