SCHEMBL6520096

SCHEMBL6520096

O=[N+]([O-])c1cc(F)ccc1CO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.53
ATM Q13315 1/20 0.53
CYP1A2 P05177 1/20 0.44
SNCA P37840 2/20 0.43
PDE7A Q13946 1/20 0.43
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
KCNMA1 Q12791 1/20 0.41
HSPB1 P04792 2/20 0.41
PDK1 Q15118 1/20 0.40
TTR P02766 1/20 0.40
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL5740951 0.87 TDP1 (0.52) TDP1ATMCYP1A2SNCAPDE7A
SCHEMBL20560688 0.85 ALDH1A1 (0.56) TDP1ATMCYP1A2SNCAPDE7A
SCHEMBL1414035 0.85 ATM (0.58) TDP1ATMSNCAPDE7AALDH1A1
SCHEMBL23648164 0.81 TDP1 (0.53) TDP1ATMCYP1A2SNCAPDE7A
SCHEMBL1972244 0.81 ATM (0.53) TDP1ATMCYP1A2SNCAPDE7A
SCHEMBL194408 0.81 ATM (0.53) TDP1ATMCYP1A2SNCAPDE7A
SCHEMBL30074087 0.81 ATM (0.53) TDP1ATMCYP1A2SNCAPDE7A
SCHEMBL14713552 0.81 TDP1 (0.52) TDP1CYP1A2SNCAALDH1A1L3MBTL1
SCHEMBL2989578 0.81 CYP1A2 (0.69) TDP1ATMCYP1A2SNCAPDE7A
SCHEMBL27956526 0.81 TDP1 (0.53) TDP1ATMCYP1A2SNCAPDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110192294-B Lithium electrode and lithium secondary battery comprising same 株式会社LG新能源 2022-09-20 CN claimed
CN-110192294-B Lithium electrode and lithium secondary battery comprising same 株式会社LG新能源 2022-09-20 CN disclosed
CN-111033864-B Electrolyte for lithium metal battery and lithium metal battery comprising same 株式会社LG新能源 2022-08-12 CN disclosed
CN-113307740-A Preparation method of 2-amino-4-fluorobenzoic acid 中瀚(齐河县)生物医药科技有限公司 2021-08-27 CN disclosed
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 WO disclosed
CN-101219955-B Method for synthesizing o-nitrobenzaldehyde compounds SHANGHAI CHEMPARTNER CO LTD 2013-05-15 CN disclosed
US-20110053947-A1 Arylchalcogenoarylalkyl-substituted imidazolidine-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof SANOFI-AVENTIS (FR) 2011-03-03 US disclosed
CN-101219955-A Method for synthesizing o-nitrobenzaldehyde compounds SHANGHAI CHEMPARTNER CO LTD (CN) 2008-07-16 CN 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-20110053947-A1 Arylchalcogenoarylalkyl-substituted imidazolidine-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof PGC, LIPC, CEL TDP1 3941/4885ATM 3166/4885CYP1A2 100/4885

“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.