SCHEMBL5961

SCHEMBL5961

O=[N+]([O-])c1cc(C(F)(F)F)ccc1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
HIF1A Q16665 2/20 0.58
CYP3A4 P08684 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
TXNRD1 Q16881 1/20 0.56
TXNRD3 Q86VQ6 1/20 0.56
TXNRD2 Q9NNW7 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
VCAM1 P19320 1/20 0.55
EPAS1 Q99814 1/20 0.54
MAPK1 P28482 2/20 0.51
MAPT P10636 3/20 0.50
LMNA P02545 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.49
HPD P32754 2/20 0.48
MASP2 O00187 1/20 0.48

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
SCHEMBL29430691 1.00 ALDH1A1 (0.58) ALDH1A1HIF1ACYP3A4HPGDALOX15
Fluoride SCHEMBL6355463 0.98 ALDH1A1 (0.56) ALDH1A1HIF1ACYP3A4HPGDALOX15
Methyl Alcohol SCHEMBL28966984 0.95 ALDH1A1 (0.53) ALDH1A1HIF1ACYP3A4HPGDALOX15
SCHEMBL4638626 0.89 ALDH1A1 (0.58) ALDH1A1HIF1ACYP3A4HPGDALOX15
SCHEMBL19878494 0.85 ALDH1A1 (0.55) ALDH1A1HIF1ACYP3A4HPGDALOX15
SCHEMBL29836953 0.85 ALDH1A1 (0.55) ALDH1A1HIF1ACYP3A4HPGDALOX15
SCHEMBL29739317 0.85 ALDH1A1 (0.55) ALDH1A1HIF1ACYP3A4HPGDALOX15
SCHEMBL19878569 0.85 ALDH1A1 (0.55) ALDH1A1HIF1ACYP3A4HPGDALOX15
SCHEMBL113070 0.85 TDP1 (0.60) ALDH1A1HIF1ACYP3A4HPGDALOX15
SCHEMBL29580528 0.85 TDP1 (0.60) ALDH1A1HIF1ACYP3A4HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117658818-B Preparation method of 4-fluoro-3-nitrobenzotrifluoride 江西巍华化学有限公司 2025-02-07 CN claimed
CN-117820166-A Preparation method of 2-nitro-4- (trifluoromethyl) benzonitrile 浙江巍华新材料股份有限公司 2024-04-05 CN claimed
CN-117658854-A Preparation method of 2-nitro-4-trifluoromethyl benzonitrile 江西巍华化学有限公司 2024-03-08 CN claimed
CN-117658818-A Preparation method of 4-fluoro-3-nitrobenzotrifluoride 江西巍华化学有限公司 2024-03-08 CN claimed
CN-117405796-A Method for simultaneously detecting multiple short-chain fatty amines and application 株洲千金药业股份有限公司 2024-01-16 CN claimed
CN-113024538-B Pyrazole amide compounds, preparation thereof and application thereof in preventing and treating plant pathogenic bacteria and killing pests 南开大学 2022-09-09 CN claimed
CN-107085068-A The method that derivatization HPLC-DAD methods determine medicine small molecular fatty amine 中国药科大学 2017-08-22 CN claimed
EP-0159388-A2 Preparation of nuclear chlorinated compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1985-10-30 EP claimed
US-4470930-A Preparation of nuclear chlorinated aromatic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1984-09-11 US claimed
EP-3976604-B1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2026-01-21 EP disclosed
EP-4153170-B1 MAXI-K POTASSIUM CHANNEL OPENERS FOR THE TREATMENT OF FRAGILE X ASSOCIATED DISORDERS SERVIER LAB (FR) 2026-01-21 EP disclosed
EP-4663630-A1 NOVEL BENZIMIDAZOLONE DERIVATIVE COMPOUND AS AUTOTAXIN INHIBITOR LG Chem, Ltd. (KR) 2025-12-17 EP disclosed
US-12485169-B2 Compounds Grey Wolf Therapeutics Limited (GB) 2025-12-02 US disclosed
US-20250340521-A1 C-ABL TYROSINE KINASE INHIBITORY COMPOUND EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2025-11-06 US disclosed
US-4183949-A Pesticidally active 1-arylamino-2,4-dinitronaphthalenes BAYER AKTIENGESELLSCHAFT (DE) 1980-01-15 US disclosed
US-4172831-A CENTRAL NERVOUS SYSTEM LILLY INDUSTRIES LIMITED (GB) 1979-10-30 US disclosed
US-4162322-A ANTISECRETORY SCIENCE UNION ET CIE, SOCIETE FRANCAISE DE RECHERCHE MED. (FR) 1979-07-24 US disclosed
US-4115574-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed
US-4115568-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed
US-4031232-A 1-Alkyl-2-(phenoxymethyl)-5-nitro-imidazoles and process for their manufacture HOECHST AKTIENGESELLSCHAFT (DT) 1977-06-21 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 (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-20250340521-A1 C-ABL TYROSINE KINASE INHIBITORY COMPOUND EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME ABL1, ABL2, MUSK ALDH1A1 1314/4885HIF1A 2798/4885CYP3A4 4817/4885
US-12485169-B2 Compounds SLC10A1, VHL, CFTR ALDH1A1 276/4885HIF1A 1635/4885CYP3A4 1139/4885

“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.