SCHEMBL102780

SCHEMBL102780

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
ALDH1A1 P00352 2/20 0.67
HIF1A Q16665 1/20 0.67
VCAM1 P19320 1/20 0.62
HSPB1 P04792 4/20 0.50
PDE7A Q13946 1/20 0.49
LMNA P02545 4/20 0.47
HTT P42858 4/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MITF O75030 1/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CA1 P00915 1/20 0.47
MMP2 P08253 1/20 0.47
CA14 Q9ULX7 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TTR P02766 1/20 0.45

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
SCHEMBL29462663 1.00 ATM (0.69) ATMTDP1ALDH1A1HIF1AVCAM1
Hydrogen Sulfide SCHEMBL21810723 0.98 ATM (0.67) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL216553 0.84 TDP1 (0.72) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL29745239 0.84 TDP1 (0.72) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL6314467 0.84 ALDH1A1 (0.58) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL18302787 0.83 TDP1 (0.55) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL29385912 0.82 TDP1 (1.00) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL29462665 0.82 ATM (0.63) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL57112 0.82 TDP1 (1.00) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL11579276 0.82 ALDH1A1 (0.67) ATMTDP1ALDH1A1HIF1AVCAM1

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 1254 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117427680-A Preparation method of aromatic amine and unsaturated quinoline derivative 烟台先进材料与绿色制造山东省实验室 2024-01-23 CN claimed
CN-115772083-A Method for synthesizing 2, 5-difluoronitrobenzene by using vortex continuous flow reactor 南通海晴医药科技有限公司 2023-03-10 CN claimed
CN-114292298-A Preparation method of integrated phosphine-light-emitting carbazolyl organic photoelectric material 安阳工学院 2022-04-08 CN claimed
CN-109553534-A A kind of preparation method of 2- nitro -4- methoxy benzoic acid 常州大学 2019-04-02 CN claimed
CN-107376875-A A kind of preparation and application of the beta cyclodextrin porous material with quick adsorption ability 湖南理工学院 2017-11-24 CN claimed
US-9169200-B2 Polymer supported reagents and methods or reducing aromatic nitro compounds by using the same LG CHEM, LTD. (KR) 2015-10-27 US claimed
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
US-20130253083-A1 POLYMER SUPPORTED REAGENTS AND METHODS OR REDUCING AROMATIC NITRO COMPOUNDS BY USING THE SAME IUCF-HYU (INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY) (KR) 2013-09-26 US claimed
WO-2012128515-A9 POLYMER SUPPORTED REAGENTS AND METHODS OF REDUCING AROMATIC NITRO COMPOUNDS BY USING THE SAME LG CHEM, LTD. (KR) 2012-12-20 WO claimed
WO-2012128515-A2 POLYMER SUPPORTED REAGENTS AND METHODS OF REDUCING AROMATIC NITRO COMPOUNDS BY USING THE SAME LG CHEM, LTD. (KR) 2012-09-27 WO claimed
WO-2008008273-A1 POLYMORPHIC FORM OF FLUORO-7-(2,2,2-TRIFLUOROETHOXY) PHENOXATHIIN-10,10-DIOXIDE CENERX BIOPHARMA, INC. (US) 2008-01-17 WO claimed
WO-2007083090-A2 PROCESS FOR THE PREPARATION OF URACIL DERIVATIVES SYNGENTA LIMITED (GB) 2007-07-26 WO claimed
JP-60013743-A None JP disclosed
JP-5201957-A None JP disclosed
EP-3233077-B1 DOPAMINE D2 RECEPTOR LIGANDS BROAD INST INC (US) 2026-05-06 EP disclosed
US-12616682-B2 1-H-pyrrolo[2,3-c]pyridine compounds ACERTA PHARMA B.V. (NL) 2026-05-05 US disclosed
US-4115574-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed
US-4089958-A HYPOTENSIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-05-16 US disclosed
US-4032639-A 2,3,4,4A-Tetrahydro-1H-pyrazino[1,2-a,]quinoxalin-5(6H)-ones and derivatives thereof for relieving hypertension AMERICAN HOME PRODUCTS CORPORATION (US) 1977-06-28 US disclosed
US-3953510-A Method for the preparation of alkoxyanilines OLIN CORPORATION (US) 1976-04-27 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-20130253083-A1 POLYMER SUPPORTED REAGENTS AND METHODS OR REDUCING AROMATIC NITRO COMPOUNDS BY USING THE SAME NOS2, PPOX, NOS1 ATM 327/4885TDP1 2333/4885ALDH1A1 2495/4885
US-12616682-B2 1-H-pyrrolo[2,3-c]pyridine compounds MEN1, PKD1, PKD2 ATM 3736/4885TDP1 2754/4885ALDH1A1 1116/4885

“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.