SCHEMBL2202302

SCHEMBL2202302

COc1ccc(CCCNC(=O)c2cc(-c3ccccc3OC)cc(-n3cnnn3)c2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 3/20 0.45
GAA P10253 2/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PTAFR P25105 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
SCHEMBL2204562 0.89 SMN1; SMN2 (0.53) LMNATP53ALDH1A1SMN1; SMN2TSHR
SCHEMBL2200719 0.89 MEN1 (0.54) MAPTHPGDLMNATP53NPSR1
SCHEMBL15327728 0.88 ALDH1A1 (0.46) MAPTHPGDLMNATP53NPSR1
SCHEMBL2204371 0.88 RAB9A (0.48) MAPTHPGDLMNATP53NPSR1
SCHEMBL2204375 0.88 MAPK1 (0.57) MAPTHPGDLMNATP53NPSR1
SCHEMBL2205222 0.88 MAPT (0.49) MAPTHPGDLMNATP53NPSR1
SCHEMBL2202441 0.88 RAB9A (0.60) MAPTHPGDLMNATP53NPSR1
SCHEMBL2206285 0.87 MAPK1 (0.57) MAPTHPGDLMNATP53NPSR1
SCHEMBL2204462 0.87 MAPT (0.50) MAPTHPGDLMNATP53NPSR1
SCHEMBL2204350 0.87 SMN1; SMN2 (0.48) MAPTHPGDLMNATP53NPSR1

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
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 MAPT 1160/4885HPGD 2940/4885LMNA 3073/4885

“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.