SCHEMBL422146

SCHEMBL422146

NNS(=O)(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 14/20 0.58
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP2C9 P11712 2/20 0.51
SLC22A6 Q4U2R8 2/20 0.51
SLC22A8 Q8TCC7 2/20 0.51
SLC22A11 Q9NSA0 2/20 0.51
KAT6A Q92794 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
CYP3A4 P08684 1/20 0.50
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL17698979 0.82 SLC22A12 (0.60) SLC22A12MEN1KMT2AALDH1A1CYP2C9
SCHEMBL1767681 0.81 SLC22A12 (0.58) SLC22A12MEN1KMT2AALDH1A1CYP2C9
SCHEMBL4029025 0.81 SLC22A12 (0.58) SLC22A12MEN1KMT2AALDH1A1CYP2C9
SCHEMBL29536289 0.81 SLC22A12 (0.58) SLC22A12MEN1KMT2AALDH1A1CYP2C9
SCHEMBL6732196 0.79 SLC22A12 (0.57) SLC22A12MEN1KMT2AALDH1A1CYP2C9
SCHEMBL1427884 0.79 CA1 (0.48) MEN1KMT2ACYP2C9GAA
SCHEMBL416572 0.78 ALDH1A1 (0.42) SLC22A12MEN1KMT2AALDH1A1CYP2C9
SCHEMBL3769130 0.78 SLC22A12 (0.70) SLC22A12MEN1KMT2AALDH1A1CYP2C9
SCHEMBL29418255 0.78 MEN1 (0.56) SLC22A12MEN1KMT2AALDH1A1CYP2C9
SCHEMBL302570 0.78 MEN1 (0.56) SLC22A12MEN1KMT2AALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741932-B2 Imidazopyridine derivatives Piramal Enterprises Limited (IN) 2014-06-03 US claimed
US-20120232072-A1 IMIDAZOPYRIDINE DERIVATIVES PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-09-13 US claimed
EP-2496577-A1 IMIDAZOPYRIDINE DERIVATIVES Piramal Life Sciences Limited (IN) 2012-09-12 EP claimed
EP-1320523-B1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER LAMBERT CO (US) 2005-06-22 EP claimed
US-20050004167-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER-LAMBERT COMPANY LLC 2005-01-06 US claimed
EP-1320523-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Warner-Lambert Company LLC (US) 2003-06-25 EP claimed
WO-2002024672-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER-LAMBERT COMPANY LLC (US) 2002-03-28 WO claimed
CN-118184582-A 4-Seleno-1-benzenesulfonyl pyrazole compound and electrochemical synthesis method and application thereof 延安大学 2024-06-14 CN disclosed
CN-117186769-B Wax-proof scale-proof anticorrosive paint and preparation method thereof 陕西鑫宏宇防腐科技有限公司 2024-05-03 CN disclosed
CN-117186769-A Wax-proof scale-proof anticorrosive paint and preparation method thereof 陕西鑫宏宇防腐科技有限公司 2023-12-08 CN disclosed
CN-113387771-A Preparation method of chiral fluoroalkyl ternary carbocyclic compound 东北师范大学 2021-09-14 CN disclosed
CN-106608788-B A kind of preparation method of mild diazomethane derivative 东北师范大学 2019-05-14 CN disclosed
CN-106608788-A Preparation method of mild diazomethane derivative 东北师范大学 2017-05-03 CN disclosed
EP-1827446-A2 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES SIGA TECHNOLOGIES, INC. (US) 2007-09-05 EP disclosed
WO-2006062898-A2 COMPOUNDS AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES SIGA TECHNOLOGIES, INC. (US) 2006-06-15 WO disclosed
EP-1320523-B1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER LAMBERT CO (US) 2005-06-22 EP disclosed
US-20050004167-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER-LAMBERT COMPANY LLC 2005-01-06 US disclosed
WO-2004034288-A1 THE THREE-DIMENSIONAL CRYSTAL STRUCTURE OF BCATC COMPLEXES AND METHODS OF USE THEREOF WARNER-LAMBERT COMPANY LLC (US) 2004-04-22 WO disclosed
EP-1320523-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Warner-Lambert Company LLC (US) 2003-06-25 EP disclosed
WO-2002024672-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER-LAMBERT COMPANY LLC (US) 2002-03-28 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 (2 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-20050004167-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases BCAT1, BCAT2, ABAT SLC22A12 350/4885MEN1 3229/4885KMT2A 911/4885
US-20120232072-A1 IMIDAZOPYRIDINE DERIVATIVES IL6, IL6ST, STAT3 SLC22A12 4801/4885MEN1 4479/4885KMT2A 3390/4885

“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.