Sugi Predict

Sugi Predict / Compounds / SCHEMBL2204149

SCHEMBL2204149

SCHEMBL2204149

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ GAA P10253 2/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ AGTR1 P30556 1/20 0.48
▸ AGTR2 P50052 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPT P10636 4/20 0.47
▸ LMNA P02545 3/20 0.47
▸ TP53 P04637 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ L3MBTL1 Q9Y468 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
SCHEMBL2204375 0.90 MAPK1 (0.57) MAPK1HPGDTSHRGAARAB9A
SCHEMBL2205222 0.90 MAPT (0.49) MAPK1HPGDTSHRGAARAB9A
SCHEMBL2204003 0.89 ALDH1A1 (0.52) MAPK1HPGDTSHRGAARAB9A
SCHEMBL2204350 0.89 SMN1; SMN2 (0.48) MAPK1HPGDTSHRGAARAB9A
SCHEMBL2204462 0.89 MAPT (0.50) MAPK1HPGDTSHRGAARAB9A
SCHEMBL15327601 0.89 ALDH1A1 (0.46) MAPK1HPGDTSHRSMN1; SMN2ALDH1A1
SCHEMBL2204227 0.88 MEN1 (0.49) MAPK1HPGDTSHRGAARAB9A
SCHEMBL2200719 0.88 MEN1 (0.54) MAPK1HPGDTSHRGAARAB9A
SCHEMBL2203997 0.88 MAPK1 (0.47) MAPK1HPGDTSHRGAARAB9A
SCHEMBL2206285 0.87 MAPK1 (0.57) MAPK1HPGDTSHRGAARAB9A

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 3528/4885HPGD 2940/4885TSHR 116/4885

“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.