SCHEMBL6846339

SCHEMBL6846339

CC(=O)NN1C(=O)C(=O)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 7/20 0.57
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ TTR P02766 1/20 0.50
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ BCHE P06276 2/20 0.44
▸ TGM2 P21980 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ CES2 O00748 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ AGTR1 P30556 1/20 0.42
▸ DRD1 P21728 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL5542522 0.80 RAB9A (0.71) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL5159132 0.74 CES1 (0.52) CES1TTRBCHETGM2ALDH1A1
SCHEMBL30070852 0.73 CES1 (1.00) CES1TTRMEN1KMT2ABCHE
SCHEMBL4989864 0.73 CES1 (1.00) CES1TTRMEN1KMT2ABCHE
Water SCHEMBL28254233 0.73 CES1 (0.50) CES1TTRBCHETGM2ALDH1A1
SCHEMBL29961057 0.70 CES1 (0.49) CES1TTRBCHETGM2ALDH1A1
SCHEMBL10800205 0.69 CES1 (0.57) CES1NPC1RAB9ATTRMEN1
SCHEMBL29052723 0.69 ALDH1A1 (0.66) CES1MEN1KMT2ABCHETGM2
SCHEMBL11714777 0.69 L3MBTL1 (0.71) NPC1RAB9AL3MBTL1MEN1KMT2A
Nitrogen SCHEMBL27935041 0.69 CES1 (0.90) CES1TTRMEN1KMT2ABCHE

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
WO-2011086031-A1 METHODS FOR THE PREPARATION OF INDAZOLE-3-CARBOXYCLIC ACID AND N-(S)-1-AZABICYCLO[2.2.2]OCT-3-YL-1H-INDAZOLE-3-CARBOXAMIDE HYDROCHLORIDE SALT F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 — — WO disclosed
US-20110172428-A1 METHODS FOR THE PREPARATION OF INDAZOLE-3-CARBOXYLIC ACID AND N-(S)-1-AZABICYCLO[2.2.2]OCT-3-YL-1H-INDAZOLE-3-CARBOXAMIDE HYDROCHLORIDE SALT ROCHE CAROLINA INC. 2011-07-14 — — US disclosed
US-20110172428-A1 METHODS FOR THE PREPARATION OF INDAZOLE-3-CARBOXYLIC ACID AND N-(S)-1-AZABICYCLO[2.2.2]OCT-3-YL-1H-INDAZOLE-3-CARBOXAMIDE HYDROCHLORIDE SALT ROCHE CAROLINA INC. 2011-07-14 — — US 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-20110172428-A1 METHODS FOR THE PREPARATION OF INDAZOLE-3-CARBOXYLIC ACID AND N-(S)-1-AZABICYCLO[2.2.2]OCT-3-YL-1H-INDAZOLE-3-CARBOXAMIDE HYDROCHLORIDE SALT CHRNA7, CHRNA3, CHRNA5 CES1 1262/4885NPC1 718/4885RAB9A 1334/4885

“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.

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