SCHEMBL457929

SCHEMBL457929

O=C1Nc2ccc(OC(F)(F)F)cc2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 1.00
TGM2 P21980 5/20 0.67
ALDH1A1 P00352 1/20 0.63
MAOB P27338 5/20 0.58
MAOA P21397 4/20 0.58
LRRK2 Q5S007 2/20 0.56
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
RET P07949 1/20 0.54
ABL1 P00519 2/20 0.51

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
SCHEMBL29475283 1.00 CES1 (1.00) CES1TGM2ALDH1A1MAOBMAOA
Isatin SCHEMBL28259465 0.93 CES1 (0.86) CES1TGM2ALDH1A1MAOBMAOA
SCHEMBL7830942 0.91 CES1 (0.83) CES1TGM2ALDH1A1MAOBMAOA
SCHEMBL23296092 0.87 CES1 (0.77) CES1TGM2ALDH1A1MAOBMAOA
SCHEMBL31621242 0.87 CES1 (0.77) CES1TGM2ALDH1A1MAOBMAOA
SCHEMBL14446594 0.84 CES1 (0.72) CES1TGM2ALDH1A1LRRK2CA1
SCHEMBL13973913 0.81 CES1 (0.67) CES1TGM2ALDH1A1LRRK2CA1
SCHEMBL1027756 0.80 TGM2 (1.00) CES1TGM2ALDH1A1MAOBMAOA
SCHEMBL9472806 0.80 CES1 (0.67) CES1TGM2ALDH1A1LRRK2CA1
SCHEMBL14446692 0.80 CES1 (0.67) CES1TGM2ALDH1A1LRRK2CA1

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 226 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024102245-A1 ALLOSTERIC MODULATION OF MUSCARINIC ACETYLCHOLINE RECEPTOR EFFICACY THE UNIVERSITY OF TOLEDO (US) 2024-05-16 WO claimed
CN-117304113-A Synthesis method of 5- (trifluoromethoxy) -1H-indazole-3-carboxylic acid methyl ester 南通大学 2023-12-29 CN claimed
CN-113912609-A Preparation method of natural alkaloid tryptanthrin and derivative thereof 江苏大学 2022-01-11 CN claimed
US-9486444-B1 Anti-cancer compound KING SAUD UNIVERSITY (SA) 2016-11-08 US claimed
CN-102186826-B Diazonium-free method to make an indazole intermediate in the synthesis of bicyclic 5-(trifluormethoxy)-1h-3-indazolecarboxylic acid amides HOFFMANN LA ROCHE 2015-06-17 CN claimed
EP-2346833-B1 DIAZONIUM-FREE METHOD TO MAKE AN INDAZOLE INTERMEDIATE IN THE SYNTHESIS OF BICYCLIC 5-(TRIFLUORMETHOXY)-1H-3-INDAZOLECARBOXYLIC ACID AMIDES HOFFMANN LA ROCHE (CH) 2013-03-27 EP claimed
US-8354536-B2 Diazonium-free method to make an indazole intermediate in the synthesis of bicyclic 5-(trifluormethoxy)-1H-3-indazolecarboxylic acid amides HOFFMAN-LA ROCHE INC. (US) 2013-01-15 US claimed
US-20120259120-A1 DIAZONIUM-FREE METHOD TO MAKE AN INDAZOLE INTERMEDIATE IN THE SYNTHESIS OF BICYCLIC 5-(TRIFLUORMETHOXY)-1H-3-INDAZOLECARBOXYLIC ACID AMIDES ROCHE CAROLINA INC. 2012-10-11 US claimed
US-8232412-B2 Diazonium-free method to make an indazole intermediate in the synthesis of bicyclic 5-(trifluormethoxy)-1H-3-indazolecarboxylic acid amides HOFFMANN-LA ROCHE INC. (US) 2012-07-31 US claimed
CN-102186826-A Diazonium-free method to make an indazole intermediate in the synthesis of bicyclic 5-(trifluormethoxy)-1h-3-indazolecarboxylic acid amides HOFFMANN LA ROCHE 2011-09-14 CN claimed
EP-2346833-A1 DIAZONIUM-FREE METHOD TO MAKE AN INDAZOLE INTERMEDIATE IN THE SYNTHESIS OF BICYCLIC 5-(TRIFLUORMETHOXY)-1H-3-INDAZOLECARBOXYLIC ACID AMIDES F. Hoffmann-La Roche AG (CH) 2011-07-27 EP claimed
WO-2010043515-A1 DIAZONIUM-FREE METHOD TO MAKE AN INDAZOLE INTERMEDIATE IN THE SYNTHESIS OF BICYCLIC 5-(TRIFLUORMETHOXY)-1H-3-INDAZOLECARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-04-22 WO claimed
US-20100094011-A1 DIAZONIUM-FREE METHOD TO MAKE AN INDAZOLE INTERMEDIATE IN THE SYNTHESIS OF BICYCLIC 5-(TRIFLUORMETHOXY)-1H-3-INDAZOLECARBOXYLIC ACID AMIDES ROCHE CAROLINA INC. 2010-04-15 US claimed
US-6114540-A COMBINATORIAL LIBRARIES ARQULE, INC. (US) 2000-09-05 US claimed
US-12612389-B2 Benzofuran-based N-acylhydrazone derivative and pharmaceutical composition comprising same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2026-04-28 US disclosed
US-20260109674-A1 ALLOSTERIC MODULATION OF MUSCARINIC ACETYLCHOLINE RECEPTOR EFFICACY THE UNIVERSITY OF TOLEDO (US) 2026-04-23 US disclosed
EP-4380921-B1 D3 DOPAMINE RECEPTOR-SELECTIVE NEGATIVE ALLOSTERIC MODULATORS US HEALTH (US) 2026-01-28 EP disclosed
WO-1995024395-A1 QUINOLINE DERIVATIVES AS IMMUNOMODULATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-09-14 WO disclosed
WO-1995013807-A1 INDOLO[2,1-b]QUINAZOLINE-6,12-DIONE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF PATHOGENESIS CORPORATION (US) 1995-05-26 WO disclosed
US-5198461-A Isatine derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-03-30 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 (4 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-20120259120-A1 DIAZONIUM-FREE METHOD TO MAKE AN INDAZOLE INTERMEDIATE IN THE SYNTHESIS OF BICYCLIC 5-(TRIFLUORMETHOXY)-1H-3-INDAZOLECARBOXYLIC ACID AMIDES CHRNA7, CHRNA5, CHRNA1 CES1 567/4885TGM2 3904/4885ALDH1A1 987/4885
US-20260109674-A1 ALLOSTERIC MODULATION OF MUSCARINIC ACETYLCHOLINE RECEPTOR EFFICACY CHRM5, CHRM3, CHRNA3 CES1 1731/4885TGM2 4686/4885ALDH1A1 2558/4885
US-12612389-B2 Benzofuran-based N-acylhydrazone derivative and pharmaceutical composition comprising same TUBB3, TUBA1C, ACIN1 CES1 2968/4885TGM2 2515/4885ALDH1A1 1031/4885
US-20100094011-A1 DIAZONIUM-FREE METHOD TO MAKE AN INDAZOLE INTERMEDIATE IN THE SYNTHESIS OF BICYCLIC 5-(TRIFLUORMETHOXY)-1H-3-INDAZOLECARBOXYLIC ACID AMIDES CHRNA7, CHRNA5, CHRNA1 CES1 567/4885TGM2 3904/4885ALDH1A1 987/4885

“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.