SCHEMBL3976560

SCHEMBL3976560

[CH2]c1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
CYP3A4 P08684 2/20 0.55
TSHR P16473 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
HIF1A Q16665 1/20 0.55
TXNRD1 Q16881 1/20 0.55
TXNRD3 Q86VQ6 1/20 0.55
TXNRD2 Q9NNW7 1/20 0.55
MAPK1 P28482 3/20 0.50
MAPT P10636 4/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.47
HPD P32754 2/20 0.47
MASP2 O00187 1/20 0.47
F2 P00734 1/20 0.47

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
SCHEMBL28777324 0.86 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL16960002 0.85 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL29942185 0.82 ALDH1A1 (0.60) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL7240751 0.82 ALDH1A1 (0.60) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL8075931 0.81 MAPK1 (0.49) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL11668743 0.79 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL1995690 0.79 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL2158306 0.79 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL29733584 0.79 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL5961 0.79 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHRTDP1HPGD

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 EP claimed
CN-112694473-A 7, 9-disubstituted berberine derivative and preparation method and application thereof 南京林业大学 2021-04-23 CN claimed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 EP claimed
WO-2019068935-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTRUMENTS S.R.L. (IT) 2019-04-11 WO claimed
CN-112694473-B 7, 9-disubstituted berberine structural analogue and preparation method and application thereof 南京林业大学 2022-09-20 CN disclosed
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 EP disclosed
CN-112694473-A 7, 9-disubstituted berberine derivative and preparation method and application thereof 南京林业大学 2021-04-23 CN disclosed
CN-108191667-B Preparation method of 2-nitro-4-trifluoromethyl methyl benzoate 利尔化学股份有限公司 2021-03-26 CN disclosed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 EP disclosed
WO-2019068935-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTRUMENTS S.R.L. (IT) 2019-04-11 WO disclosed
CN-107033048-A A kind of synthetic method of aryl methyl selenide compound 温州医科大学 2017-08-11 CN disclosed
CN-105712944-A Preparation method of isoxazole compound and isoxazole compound intermediate 浙江省诸暨合力化学对外贸易有限公司 2016-06-29 CN disclosed
CN-100543022-C 2-furancarboxylic acid hydrazide compound and contain the pharmaceutical composition of this compound DAINIPPON PHARMACEUTICAL CO (JP) 2009-09-23 CN disclosed
US-7514452-B2 2-furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD (JP) 2009-04-07 US disclosed
EP-1841762-A1 SUBSTITUTED INDOLES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE Aventis Pharma S.A. (FR) 2007-10-10 EP disclosed
WO-2006061493-A1 SUBSTITUTED INDOLES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AVENTIS PHARMA S.A. (FR) 2006-06-15 WO disclosed
US-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-04 US disclosed
CN-1628111-A 2-furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON PHARMACEUTICAL CO (JP) 2005-06-15 CN disclosed
EP-1489077-A1 2-FURANCARBOXYLIC ACID HYDRAZIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 EP 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 (1 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-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same GLP1R, GCGR, GPR119 ALDH1A1 1389/4885CYP3A4 517/4885TSHR 82/4885

“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.