SCHEMBL67213

SCHEMBL67213

FC(F)(F)c1ccc(Br)nc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 2/20 0.41
TRPV1 Q8NER1 1/20 0.40
CASP3 P42574 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
KIF11 P52732 2/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 2/20 0.38
PTGS1 P23219 1/20 0.38
HPGD P15428 1/20 0.38
APAF1 O14727 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL28017609 0.82 L3MBTL1 (0.33) KMT2ATHRBL3MBTL1MAPTTRPV1
SCHEMBL1554553 0.82 MBOAT4 (0.33) KMT2ATHRBL3MBTL1TRPV1SMN1; SMN2
SCHEMBL11541379 0.81 ALDH1A1 (0.48) KMT2AL3MBTL1MAPTTRPV1TSHR
SCHEMBL17157387 0.81 THRB (0.63) KMT2ATHRBL3MBTL1MAPTNPSR1
SCHEMBL11536641 0.80 MAPK1 (0.39) THRBTSHRKIF11KDM4EALDH1A1
SCHEMBL29480716 0.79 CHRNB2 (0.33) KMT2ATHRBL3MBTL1MAPTCASP3
SCHEMBL21436992 0.79 KMT2A (0.34) KMT2ATHRB
SCHEMBL22735755 0.79 CHRNB2 (0.33) KMT2ATHRBL3MBTL1MAPTCASP3
SCHEMBL30831236 0.79 NR1H2 (0.34) KMT2ATHRBL3MBTL1MAPTCASP3
SCHEMBL15202873 0.79 NR1H2 (0.47)

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 1550 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115093397-B Compound for treating tumor, synthesis method and application 自贡市第三人民医院 2023-09-05 CN claimed
CN-116396336-A Preparation method and application of difluorophenyl modified aggregation-induced emission iridium complex 大连理工大学 2023-07-07 CN claimed
CN-115093397-A Compound for treating tumor, synthesis method and application 自贡市第三人民医院 2022-09-23 CN claimed
WO-2022130403-A1 NEW QUATERNARY AMMONIUM SALTS FOR TRIFLUOROMETHYLATION AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2022-06-23 WO claimed
CN-112500546-B Preparation method of spherical porous structure two-dimensional covalent organic framework material 西安理工大学 2022-06-07 CN claimed
CN-111253443-B Preparation method and application of electroblotting group modified cyclometalated iridium complex 大连理工大学 2021-10-15 CN claimed
CN-112500546-A Preparation method of spherical porous structure two-dimensional covalent organic framework material 西安理工大学 2021-03-16 CN claimed
CN-112321495-A Preparation method of 2-fluoro-5- (trifluoromethyl) pyridine 南京麦瑞米生物技术有限公司 2021-02-05 CN claimed
CN-111253443-A Preparation method and application of electroblotting group modified cyclometalated iridium complex 大连理工大学 2020-06-09 CN claimed
CN-108997202-A A kind of preparation method of (5- trifluoromethylpyridin -2- base)-acetate 湖南华腾制药有限公司 2018-12-14 CN claimed
CN-102892758-B Pyridine and pyrazine derivatives for the treatment of CF NOVARTIS AG 2015-01-07 CN claimed
EP-0034917-B1 2-SUBSTITUTED-5-TRIFLUOROMETHYLPYRIDINES AND A PROCESS FOR PRODUCING THE SAME ISHIHARA SANGYO KAISHA LTD. (JP) 1984-08-08 EP claimed
EP-0034917-A1 2-Substituted-5-trifluoromethylpyridines and a process for producing the same ISHIHARA SANGYO KAISHA LTD. (JP) 1981-09-02 EP claimed
JP-56118065-A None JP disclosed
US-12637454-B2 Heterocyclic monoacylglycerol lipase (MAGL) inhibitors HOFFMANN-LA ROCHE INC. (US) 2026-05-26 US disclosed
CN-122079263-A PdBr2Preparation method and application of phosphine derivative thereof 2026-05-26 CN disclosed
EP-0030867-A1 Process for the preparation of substituted pyridinyloxy ethers E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-24 EP disclosed
US-4266063-A FROM A HALOPYRIDINE AND HYDROQUINONE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-05-05 US disclosed
EP-0013145-A2 Substituted anilinopyridines, processes for their preparation and intermediates for use therein, compositions and herbicidal use thereof ICI AUSTRALIA LIMITED (AU) 1980-07-09 EP disclosed
EP-0011142-A1 Pyrido (2,1-b) quinazolinones, their preparation and pharmaceutical compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1980-05-28 EP 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-12637454-B2 Heterocyclic monoacylglycerol lipase (MAGL) inhibitors MGLL, LIPA, LIPC KMT2A 2317/4885THRB 2236/4885L3MBTL1 229/4885

“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.