SCHEMBL357813

SCHEMBL357813

O=C(O)c1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.62
TDP1 Q9NUW8 3/20 0.58
ATM Q13315 1/20 0.58
KEAP1 Q14145 1/20 0.52
CASP6 P55212 1/20 0.50
TTR P02766 3/20 0.46
TSHR P16473 3/20 0.46
MEN1 O00255 1/20 0.45
PPOX P50336 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNMA1 Q12791 1/20 0.44
AKR1B1 P15121 1/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL28438281 0.98 DTYMK (0.60) DTYMKTDP1ATMKEAP1CASP6
SCHEMBL404750 0.85 TDP1 (0.53) DTYMKTDP1ATMKEAP1CASP6
SCHEMBL590089 0.84 TDP1 (0.56) DTYMKTDP1ATMKEAP1CASP6
SCHEMBL4647431 0.84 TDP1 (0.56) DTYMKTDP1ATMCASP6TTR
Hydrochloric Acid SCHEMBL26110373 0.84 TDP1 (0.52) DTYMKTDP1ATMKEAP1CASP6
SCHEMBL1667732 0.84 TDP1 (0.56) DTYMKTDP1ATMCASP6TTR
Potassium Ion SCHEMBL15876053 0.84 TDP1 (0.56) DTYMKTDP1ATMKEAP1CASP6
SCHEMBL3890179 0.82 TDP1 (0.56) DTYMKTDP1ATMTTRMEN1
SCHEMBL9202599 0.82 DTYMK (0.68) DTYMKTDP1ATMCASP6TTR
SCHEMBL27540677 0.82 ALDH1A1 (0.56) TDP1ATMCASP6TTRTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118812209-A Preparation method of polyvinyl alcohol emulsion modified cement paste generated in situ 海南大学 2024-10-22 CN claimed
CN-118621569-A Polyvinyl alcohol fiber surface acetalation modification method 海南大学 2024-09-10 CN claimed
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 CN claimed
CN-115974812-B Fluorescent probe for nondestructive monitoring of fish freshness and preparation method and application thereof 渤海大学 2024-03-08 CN claimed
CN-115974812-A Fluorescent probe for nondestructive monitoring of fish freshness and preparation method and application thereof 渤海大学 2023-04-18 CN claimed
US-20220387974-A1 CORE-SHELL STRUCTURE SUPPORTED CATALYST AND PREPARATION METHOD AND USE THEREOF ZHEJIANG SHUREN COLLEGE (ZHEJIANG SHUREN UNIVERSITY) (CN) 2022-12-08 US claimed
CN-113087713-B Benzodiazepine derivatives, and preparation method and use thereof 中国人民解放军军事科学院军事医学研究院 2022-10-04 CN claimed
CN-112979658-B Preparation method of flumazenil 南湖实验室 2022-05-31 CN claimed
CN-113289660-A Core-shell structure supported catalyst and preparation method and application thereof 浙江树人学院(浙江树人大学) 2021-08-24 CN claimed
CN-113087713-A Benzodiazepine derivatives, and preparation method and use thereof 中国人民解放军军事科学院军事医学研究院 2021-07-09 CN claimed
US-20110294122-A1 Synthesis of 2', 3'-Dideoxynucleosides for Automated DNA Synthesis and Pyrophosphorolysis Activated Polymerization Life Technologies Corporation (US) 2011-12-01 US claimed
CN-101870653-A Synthesis method of 2 - methyl -3 - fluoride - 6 -nitrobenzoic acid SHANGHAI HEQUAN PHARMACEUTICAL CO LTD 2010-10-27 CN claimed
WO-2008122555-A1 2-NITRO-5-FLUORO-3',4'-DICHLOROBIPHENYL AND METHOD FOR THE PRODUCTION THEREOF SALTIGO GMBH (DE) 2008-10-16 WO claimed
EP-0751115-B1 Process for the preparation of 5-fluoro-2-nitrobenzoic acid BAYER AG (DE) 1998-09-09 EP claimed
US-5756831-A Process for the preparation of 5-fluoro-2-nitrobenzoic acid BAYER AKTIENGESELLSCHAFT (DE) 1998-05-26 US claimed
EP-0647615-B1 Process for the preparation of 5-fluoroanthranilic acid alkyl esters and or 5-fluoroanthranilic acid HOECHST AG (DE) 1997-05-28 EP claimed
EP-0751115-A1 Process for the preparation of 5-fluoro-2-nitrobenzoic acid BAYER AG (DE) 1997-01-02 EP claimed
US-5543550-A NITRATING ALKYL ESTER OF 3-FLUOROBENZOIC ACID DISSOLVED IN SOLVENT-FREE SULFURIC ACID, THEN ADDING WATER, SEPARATION, HYDROLYSIS, PRESSURIZED CATALYTIC HYDROGENATION OF THE NITRATED ACID HOECHST AKTIENGESELLSCHAFT (DE) 1996-08-06 US claimed
EP-0700895-A2 Process for the selective preparation of fluorinated aromatic amines and fluorinated aromatic amines with particularly low contents of defluorinated portions BAYER AG (DE) 1996-03-13 EP claimed
EP-0647615-A1 Process for the preparation of 5-fluoroanthranilic acid alkyl esters and or 5-fluoroanthranilic acid HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-12 EP 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 (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-20110294122-A1 Synthesis of 2', 3'-Dideoxynucleosides for Automated DNA Synthesis and Pyrophosphorolysis Activated Polymerization DCTD, MTAP, RNGTT DTYMK 11/4885TDP1 150/4885ATM 1376/4885

“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.