SCHEMBL6995077

SCHEMBL6995077

Cc1nc(-c2cccc(NC(C)(C)C(=O)O)c2)no1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
TP53 P04637 5/20 0.54
MAPT P10636 4/20 0.54
POLB P06746 3/20 0.54
PLK1 P53350 1/20 0.48
HTT P42858 3/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 2/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HAVCR2 Q8TDQ0 2/20 0.43
MAPK14 Q16539 1/20 0.43
HPGD P15428 1/20 0.42
CA2 P00918 1/20 0.42
SYK P43405 1/20 0.42
ADORA2A P29274 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL8268112 0.78 MAPT (0.60) L3MBTL1TP53MAPTPOLBHTT
SCHEMBL13273862 0.78 MAPT (0.63) L3MBTL1TP53MAPTPOLBPLK1
SCHEMBL7056553 0.78 TP53 (0.66) L3MBTL1TP53MAPTPOLBPLK1
SCHEMBL7133483 0.78 TP53 (0.48) L3MBTL1TP53MAPTPOLBHTT
SCHEMBL8311929 0.77 L3MBTL1 (0.72) L3MBTL1TP53MAPTPOLBPLK1
SCHEMBL225165 0.76 L3MBTL1 (0.70) L3MBTL1TP53MAPTPOLBPLK1
SCHEMBL30497107 0.76 L3MBTL1 (0.70) L3MBTL1TP53MAPTPOLBPLK1
SCHEMBL7133491 0.75 F10 (0.49) TP53MAPTPOLBCA2
SCHEMBL13028749 0.75 L3MBTL1 (0.64) L3MBTL1TP53MAPTPOLBPLK1
SCHEMBL19287155 0.75 L3MBTL1 (0.64) L3MBTL1TP53MAPTPOLBPLK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162814-A1 N-substituted 1-amino-1,1-dialkylcarboxylic acid derivatives MERCK PATENT GMBH (DE) 2003-08-28 US disclosed
EP-1303482-A2 N-SUBSTITUTED-1-AMINO-1,1-DIALKYLCARBOXYLIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 2003-04-23 EP disclosed
WO-2002008177-A2 N-SUBSTITUTED-1-AMINO-1,1-DIALKYLCARBOXYLIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2002-01-31 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-20030162814-A1 N-substituted 1-amino-1,1-dialkylcarboxylic acid derivatives F5, CCNY, F2 L3MBTL1 2108/4885TP53 3684/4885MAPT 4873/4885

“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.