SCHEMBL2204909

SCHEMBL2204909

COc1ccc(CCNC(=O)c2cc(-c3ccccc3C#N)cc(-n3cnnn3)c2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 5/20 0.46
TP53 P04637 3/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 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
SCHEMBL15327733 0.89 ALDH1A1 (0.45) MAPK1ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL2204375 0.88 MAPK1 (0.57) MAPK1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL2205222 0.88 MAPT (0.49) MAPK1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL2204003 0.88 ALDH1A1 (0.52) MAPK1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL2204350 0.88 SMN1; SMN2 (0.48) MAPK1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL2204462 0.88 MAPT (0.50) MAPK1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL2204227 0.87 MEN1 (0.49) MAPK1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL2204149 0.87 MAPK1 (0.49) MAPK1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL2203997 0.86 MAPK1 (0.47) MAPK1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL2200719 0.86 MEN1 (0.54) MAPK1ALDH1A1GAARAB9ASMN1; 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 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 MAPK1 3528/4885ALDH1A1 380/4885GAA 1875/4885

“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.