SCHEMBL2090729

SCHEMBL2090729

O=C(O)c1c(C(F)(F)F)cc(Cl)nc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMO O15229 3/20 0.38
ASPH Q12797 1/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
JUN P05412 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
DHODH Q02127 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
SORT1 Q99523 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
XPO1 O14980 1/20 0.33
KDR P35968 1/20 0.33
EGLN1 Q9GZT9 2/20 0.33

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
SCHEMBL832709 0.86 ALDH1A1 (0.37) ALDH1A1MAPK1SMN1; SMN2KMOASPH
SCHEMBL565623 0.84 POLB (0.46) ALDH1A1MAPK1SMN1; SMN2JUNNFKB1
SCHEMBL474007 0.83 ALDH1A1 (0.46) ALDH1A1MAPK1SMN1; SMN2KMOASPH
SCHEMBL31337111 0.83 CA1 (0.35) ALDH1A1MAPK1SMN1; SMN2KMOJUN
SCHEMBL29021390 0.83 CA1 (0.35) ALDH1A1MAPK1SMN1; SMN2KMOJUN
SCHEMBL6357726 0.81 NFKB1 (0.40) ALDH1A1MAPK1SMN1; SMN2JUNNFKB1
SCHEMBL6357961 0.80 JUN (0.33) ALDH1A1MAPK1SMN1; SMN2JUNNFKB1
SCHEMBL6357963 0.80 XPO1 (0.33) ALDH1A1MAPK1SMN1; SMN2KMOJUN
SCHEMBL6357967 0.80 JUN (0.33) ALDH1A1MAPK1SMN1; SMN2JUNNFKB1
SCHEMBL831077 0.80 NOTUM (0.41) ALDH1A1MAPK1SMN1; SMN2JUNNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115928113-B Preparation method of 4-trifluoromethyl nicotinic acid 山东京博农化科技股份有限公司 2025-03-04 CN claimed
CN-115928113-A Preparation method of 4-trifluoromethyl nicotinic acid 山东京博农化科技股份有限公司 2023-04-07 CN claimed
CN-115928113-B Preparation method of 4-trifluoromethyl nicotinic acid 山东京博农化科技股份有限公司 2025-03-04 CN disclosed
CN-115928113-B Preparation method of 4-trifluoromethyl nicotinic acid 山东京博农化科技股份有限公司 2025-03-04 CN disclosed
WO-2023062575-A1 CYCLIC VINYL SULFONE COMPOUNDS AS WRN INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2023-04-20 WO disclosed
CN-115928113-A Preparation method of 4-trifluoromethyl nicotinic acid 山东京博农化科技股份有限公司 2023-04-07 CN disclosed
CN-115928113-A Preparation method of 4-trifluoromethyl nicotinic acid 山东京博农化科技股份有限公司 2023-04-07 CN disclosed
US-8163769-B2 1,8-naphthyridine derivatives ABBOTT LABORATORIES (US) 2012-04-24 US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
US-7109196-B2 1,8 Naphthyridine derivatives and their use to treat diabetes and related disorders BAYER PHARMACEUTICALS CORPORATION (US) 2006-09-19 US disclosed
US-20060189609-A1 1, 8-Naphthyridine derivatives and their use to treat diabetes and related disorders BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-24 US disclosed
US-20040014751-A1 1,8-Naphthyridine derivatives and their use to treat diabetes and related disorders BAYER CORPORATION 2004-01-22 US disclosed
US-6677352-B1 1,6-naphthyridine derivatives and their use to treat diabetes and related disorders BAYER PHARMACEUTICALS CORPORATION 2004-01-13 US disclosed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 US disclosed
WO-2003027112-A1 1, 8-NAPHTHYRIDINE DERIVATIVES AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed
WO-2003027113-A1 1,6-NAPHTHYRIDINE DERIVATIVES AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed
WO-2003027112-A1 1, 8-NAPHTHYRIDINE DERIVATIVES AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed
EP-1274683-A2 HETEROCYCLIC ACYLSULFIMIDES, A METHOD FOR THEIR PRODUCTION, AGENTS CONTAINING THE SAME AND THEIR USE AS PESTICIDES Bayer CropScience GmbH (DE) 2003-01-15 EP disclosed
US-20020032328-A1 Heterocyclic acylsulfimides, processes for their preparation, compositions comprising them and their use as pesticides AVENTIS CROPSCIENCE GMBH (DE) 2002-03-14 US disclosed
WO-2001070692-A2 HETEROCYCLIC ACYLSULFIMIDES, A METHOD FOR THEIR PRODUCTION, AGENTS CONTAINING THE SAME AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE GMBH (DE) 2001-09-27 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 (5 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-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF NAPRT, PNPO, FABP3 ALDH1A1 1855/4885MAPK1 1031/4885SMN1; SMN2 3345/4885
US-20040014751-A1 1,8-Naphthyridine derivatives and their use to treat diabetes and related disorders UQCRC1, GLP1R, SLC5A1 ALDH1A1 820/4885MAPK1 1071/4885SMN1; SMN2 3159/4885
US-20030232818-A1 Antibacterial compounds PGLS, UGT1A1, CASP1 ALDH1A1 292/4885MAPK1 341/4885SMN1; SMN2 2135/4885
US-20020032328-A1 Heterocyclic acylsulfimides, processes for their preparation, compositions comprising them and their use as pesticides DDT, PTMS, TMT1A ALDH1A1 768/4885MAPK1 2174/4885SMN1; SMN2 1291/4885
US-20060189609-A1 1, 8-Naphthyridine derivatives and their use to treat diabetes and related disorders GLP1R, UQCRC1, SLC5A1 ALDH1A1 1148/4885MAPK1 1389/4885SMN1; SMN2 3149/4885

“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.