SCHEMBL602444

SCHEMBL602444

O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP3A4 P08684 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
HIF1A Q16665 1/20 0.52
TXNRD1 Q16881 1/20 0.52
TXNRD3 Q86VQ6 1/20 0.52
TXNRD2 Q9NNW7 1/20 0.52
MAPK1 P28482 1/20 0.46
VCAM1 P19320 4/20 0.41
LMNA P02545 1/20 0.39
IDO1 P14902 1/20 0.39
GPR35 Q9HC97 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38

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
SCHEMBL29672221 1.00 TSHR (0.52) TSHRALDH1A1CYP3A4TDP1HPGD
SCHEMBL7617600 0.89 CYP3A4 (0.52) TSHRALDH1A1CYP3A4TDP1HPGD
SCHEMBL1770903 0.85 ALDH1A1 (0.49) TSHRALDH1A1CYP3A4TDP1HPGD
SCHEMBL29435964 0.85 ALDH1A1 (0.49) TSHRALDH1A1CYP3A4TDP1HPGD
SCHEMBL29672268 0.84 ALDH1A1 (0.47) TSHRALDH1A1CYP3A4TDP1HPGD
SCHEMBL1770886 0.84 TSHR (0.47) TSHRALDH1A1CYP3A4TDP1HPGD
SCHEMBL29937444 0.84 TSHR (0.47) TSHRALDH1A1CYP3A4TDP1HPGD
SCHEMBL5860481 0.84 CYP3A4 (0.47) TSHRALDH1A1CYP3A4TDP1HPGD
SCHEMBL313585 0.84 ALDH1A1 (0.49) TSHRALDH1A1CYP3A4TDP1HPGD
SCHEMBL1024954 0.84 ALDH1A1 (0.47) TSHRALDH1A1CYP3A4TDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184577-B Phenyl ether meta-amide compound and application thereof 山东省农药科学研究院 2024-07-23 CN claimed
CN-118184577-A Phenyl ether meta-amide compound and application thereof 山东省农药科学研究院 2024-06-14 CN claimed
JP-60123471-A None JP disclosed
US-20260022122-A1 NOVEL COMPOUND FOR INHIBITING NAMPT, AND COMPOSITION INCLUDING SAME CHECKMATE THERAPEUTICS INC. (KR) 2026-01-22 US disclosed
US-12479834-B2 Phenol compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2025-11-25 US disclosed
CN-118184577-B Phenyl ether meta-amide compound and application thereof 山东省农药科学研究院 2024-07-23 CN disclosed
CN-118184577-A Phenyl ether meta-amide compound and application thereof 山东省农药科学研究院 2024-06-14 CN disclosed
WO-2023229346-A1 NOVEL COMPOUND FOR INHIBITING NAMPT, AND COMPOSITION INCLUDING SAME 주식회사 체크메이트테라퓨틱스 2023-11-30 WO disclosed
US-20230049402-A1 NOVEL PHENOL COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO. LTD. (JP) 2023-02-16 US disclosed
EP-4067343-A1 NOVEL PHENOL COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2022-10-05 EP disclosed
WO-2022101265-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-05-19 WO disclosed
EP-0162776-A2 Heterocyclic derivatives, process for their preparation and medicaments useful as aldose reductase inhibitors containing them LABORATOIRES UPSA (FR) 1985-11-27 EP disclosed
JP-S60123471-A PRODUCTION OF N-(3-CHLORO-5-TRIFLUOROMETHYL-2-PYRIDYL)-3- CHLORO-2,6-DINITRO-4-TRIFLUOROMETHYLANILINE ISHIHARA SANGYO KAISHA LTD 1985-07-02 JP disclosed
EP-0000542-B1 PROCESS FOR THE PREPARATION OF TRIFLUOROMETHYL PHENOLS BAYER AG (DE) 1981-07-15 EP disclosed
US-4225731-A Process for the preparation of trifluoromethylphenols BAYER AKTIENGESELLSCHAFT (DE) 1980-09-30 US disclosed
EP-0004623-A1 Process for the preparation of aromatic amines BAYER AG (DE) 1979-10-17 EP disclosed
EP-0000542-A1 Process for the preparation of trifluoromethyl phenols BAYER AG (DE) 1979-02-07 EP disclosed
US-3989707-A NEUROLEPTIC AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1976-11-02 US disclosed
US-3954438-A 5-Trifluoromethyl-7-aminobenzimidazoles herbicides UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1976-05-04 US disclosed
US-3954788-A INTERMEDIATES FOR HERBIDIDES UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1976-05-04 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 (3 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-12479834-B2 Phenol compound or salt thereof REN, MLX, MYB TSHR 1888/4885ALDH1A1 287/4885CYP3A4 2867/4885
US-20230049402-A1 NOVEL PHENOL COMPOUND OR SALT THEREOF MYB, MLX, EP300 TSHR 2462/4885ALDH1A1 235/4885CYP3A4 3428/4885
US-20260022122-A1 NOVEL COMPOUND FOR INHIBITING NAMPT, AND COMPOSITION INCLUDING SAME NAMPT, NAPRT, NNT TSHR 1450/4885ALDH1A1 789/4885CYP3A4 1175/4885

“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.