SCHEMBL4517211

SCHEMBL4517211

CCc1cccc(O)c1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.56
▸ GABRB2 P47870 2/20 0.56
▸ MEP1B Q16820 1/20 0.49
▸ DAO P14920 2/20 0.44
▸ IAPP P10997 3/20 0.43
▸ ANPEP P15144 1/20 0.42
▸ DPP4 P27487 1/20 0.42
▸ ADRB1 P08588 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ ADRB3 P13945 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ HTR1A P08908 1/20 0.41
▸ HSPA5 P11021 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 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
SCHEMBL9419249 0.84 KDM4E (0.41) GABRA1GABRB2MCL1
SCHEMBL22306130 0.83 GABRA1 (0.55) GABRA1GABRB2DAOKAT6A
SCHEMBL25380690 0.83 HTR1A (0.47) GABRA1GABRB2MEP1BIAPPHTR1A
SCHEMBL4288658 0.79 TAAR1 (0.46) MEP1BADRB1ADRA2AADRB3ADRA2B
SCHEMBL3080398 0.79 MEP1B (0.46) MEP1BADRB1ADRA2AADRB3ADRA2B
SCHEMBL18122722 0.78 MEP1B (0.42) MEP1BIAPPADRB1ADRA2AADRB3
SCHEMBL28765037 0.78 MEP1B (0.58) MEP1BHTR1AMCL1
Bromide SCHEMBL923559 0.77 TAAR1 (0.45) MEP1BADRB1ADRA2AADRB3ADRA2B
SCHEMBL18584816 0.77 GABRA1 (0.50) GABRA1GABRB2MEP1BDAOKAT6A
SCHEMBL16962936 0.77 GABRA1 (0.50) GABRA1GABRB2DAOKAT6A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12565489-B2 Heterocyclyl pyrimidines and triazines as novel fungicides BAYER AKTIENGESELLSCHAFT (DE) 2026-03-03 — — US disclosed
US-12552748-B2 Pyridine (thio)amides as fungicidal compounds BAYER AKTIENGESELLSCHAFT (DE) 2026-02-17 — — US disclosed
EP-4149929-B1 TRIAZINE AND PYRIMIDINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AG (DE) 2026-01-28 — — EP disclosed
US-12534456-B2 Heterocyclyl pyridines as novel fungicides BAYER AKTIENGESELLSCHAFT (DE) 2026-01-27 — — US disclosed
US-12520844-B2 Triazine and pyrimidine (thio)amides as fungicidal compounds BAYER AKTIENGESELLSCHAFT (DE) 2026-01-13 — — US disclosed
US-20230348392-A1 PYRIDINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-02 — — US disclosed
US-20230295138-A1 HETEROCYCLYL PYRIDINES AS NOVEL FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-09-21 — — US disclosed
US-20230278994-A1 HETEROCYCLYL PYRIMIDINES AND TRIAZINES AS NOVEL FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-09-07 — — US disclosed
US-20230180756-A1 TRIAZINE AND PYRIMIDINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-06-15 — — US disclosed
CN-116157397-A Heterocyclylpyridines as novel fungicides 拜耳公司 2023-05-23 — — CN disclosed
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-03-31 — — US disclosed
US-20100009963-A1 KINASE ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-01-14 — — US disclosed
US-7608639-B2 Phenoxyether derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-27 — — US disclosed
US-7585868-B2 Substituted pyrazolo[3,4-D]pyrimidines as kinase antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-09-08 — — US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 — — US disclosed
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives BAYER CROPSCIENCE AG (DE) 2009-05-28 — — US disclosed
US-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-20 — — US disclosed
US-20070037812-A1 Such as 3-{4-[3-(4-Chloro-2- phenoxy-phenoxy)- phenoxy]-2-methyl- phenyl}-propionic acid; peroxisome proliferator activated receptor (PPAR); syndrome X, type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, arteriosclerosis ELI LILLY AND COMPANY (US) 2007-02-15 — — US disclosed
EP-1675814-A1 PHENOXYETHER DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-07-05 — — EP disclosed
WO-2005037763-A1 PHENOXYETHER DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-04-28 — — 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 (12 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-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine MTOR, PI4KA, PIK3CA GABRA1 3915/4885GABRB2 4168/4885MEP1B 1120/4885
US-20230180756-A1 TRIAZINE AND PYRIMIDINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS TPMT, TYMP, TPI1 GABRA1 2784/4885GABRB2 2702/4885MEP1B 2896/4885
US-12565489-B2 Heterocyclyl pyrimidines and triazines as novel fungicides CBR1, CBR3, NOX1 GABRA1 1756/4885GABRB2 1253/4885MEP1B 1302/4885
US-20230278994-A1 HETEROCYCLYL PYRIMIDINES AND TRIAZINES AS NOVEL FUNGICIDES DPYD, DPM1, DHPS GABRA1 2842/4885GABRB2 2535/4885MEP1B 1912/4885
US-20230348392-A1 PYRIDINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS PNPO, TST, TPMT GABRA1 2190/4885GABRB2 2173/4885MEP1B 4029/4885
US-20100009963-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 GABRA1 2019/4885GABRB2 1779/4885MEP1B 2760/4885
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE MAP3K20, MAP3K1, PDPK1 GABRA1 3411/4885GABRB2 2836/4885MEP1B 1110/4885
US-20230295138-A1 HETEROCYCLYL PYRIDINES AS NOVEL FUNGICIDES PNPO, CBR3, HPD GABRA1 2068/4885GABRB2 1745/4885MEP1B 2350/4885
US-20070037812-A1 Such as 3-{4-[3-(4-Chloro-2- phenoxy-phenoxy)- phenoxy]-2-methyl- phenyl}-propionic acid; peroxisome proliferator activated receptor (PPAR); syndrome X, type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, arteriosclerosis PPARA, PPARG, PPARD GABRA1 450/4885GABRB2 559/4885MEP1B 4080/4885
US-12534456-B2 Heterocyclyl pyridines as novel fungicides CBR1, CBR3, NOX1 GABRA1 1217/4885GABRB2 818/4885MEP1B 1371/4885
US-12552748-B2 Pyridine (thio)amides as fungicidal compounds CBR1, CBR3, TH GABRA1 1292/4885GABRB2 1875/4885MEP1B 2745/4885
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives CYP51A1, ERG28, CBR3 GABRA1 660/4885GABRB2 506/4885MEP1B 1019/4885

“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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