SCHEMBL442397

SCHEMBL442397

O=C(O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 3/20 0.60
AKR1B1 P15121 2/20 0.59
AKR1C4 P17516 2/20 0.59
AKR1C3 P42330 2/20 0.59
AKR1C2 P52895 2/20 0.59
AKR1C1 Q04828 2/20 0.59
MAPT P10636 4/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
ALDH1A1 P00352 6/20 0.56
HPGD P15428 3/20 0.56
KDM4E B2RXH2 2/20 0.56
HSD17B10 Q99714 2/20 0.56
FLT1 P17948 1/20 0.55
FLT4 P35916 1/20 0.55
KDR P35968 1/20 0.55
TDP1 Q9NUW8 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
TTR P02766 1/20 0.54

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
Ammonia Solution, Strong SCHEMBL28953061 0.98 HPD (0.59) HPDAKR1B1AKR1C4AKR1C3AKR1C2
Hydrochloric Acid SCHEMBL11776053 0.98 HPD (0.59) HPDAKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL22749348 0.91 ALDH1A1 (0.72) HPDAKR1B1AKR1C4AKR1C3AKR1C2
Piperidine SCHEMBL3903114 0.88 HPD (0.56) HPDAKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL6224986 0.88 AKR1B1 (0.51) HPDAKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL8492000 0.87 MAPT (0.49) HPDAKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL8942455 0.87 MAPT (0.49) HPDAKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL16031334 0.87 TTR (0.64) HPDAKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL5452045 0.87 HPD (0.60) HPDAKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL4658862 0.85 HPD (0.62) HPDAKR1B1AKR1C4AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4661890-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS Purdue Research Foundation (US) 2025-12-17 EP claimed
EP-4642921-A1 METHODS OF IDENTIFYING, IMAGING, AND CHARACTERIZING BACTERIAL SPORES USING LANTHANIDE-BETA-DIKETONES Temasek Life Sciences Laboratory Limited (SG) 2025-11-05 EP claimed
EP-4642865-A1 BACTERIAL SPORES AS GREEN AND EFFICIENT BIOLOGICAL-INORGANIC HYBRID PHOSPHORS Temasek Life Sciences Laboratory Limited (SG) 2025-11-05 EP claimed
US-12308860-B2 Apparatus for mitigating nonlinearity-induced spurs and noise in a fractional-N frequency synthesizer UNIVERSITY COLLEGE DUBLIN (IE) 2025-05-20 US claimed
CN-115850082-B Preparation method of 2-nitro-4-trifluoromethyl benzoic acid 内蒙古蓝科生物科技有限公司 2025-05-06 CN claimed
CN-119757578-A Detection method and preparation method of nitenpyram impurity 安徽贝克制药股份有限公司 2025-04-04 CN claimed
CN-116640063-B Preparation method of nitenpyram 安徽贝克制药股份有限公司 2025-03-14 CN claimed
CN-119176768-A Preparation method and application of catechol derivatives and administration and preparation device 海南大学 2024-12-24 CN claimed
CN-113221408-B Model reduced-order calculation method based on ABAQUS parallel NTFA theory 浙江工业大学 2024-09-27 CN claimed
WO-2024167565-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS PURDUE RESEARCH FOUNDATION (US) 2024-08-15 WO claimed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US claimed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US claimed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 US claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US claimed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 US claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
US-4868333-A Production of 2-nitro-4-trifluoromethylbenzoic acid ICI AMERICAS INC. (US) 1989-09-19 US claimed
US-4845279-A Method of preparing 4-trifluoromethyl-2-nitrobenzoic acid and novel isomer CENTRAL GLASS COMPANY, LIMITED (JP) 1989-07-04 US claimed

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-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 HPD 1124/4885AKR1B1 1963/4885AKR1C4 1502/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 HPD 40/4885AKR1B1 2784/4885AKR1C4 2258/4885

“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.