SCHEMBL1667732

SCHEMBL1667732

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
ATM Q13315 1/20 0.56
TTR P02766 3/20 0.45
DTYMK P23919 1/20 0.44
KCNMA1 Q12791 1/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CTSD P07339 1/20 0.41
CASP6 P55212 1/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL4817687 0.86 ATM (0.52) TDP1ATMTTRKCNMA1CES2
SCHEMBL357813 0.84 DTYMK (0.62) TDP1ATMTTRDTYMKKCNMA1
SCHEMBL590089 0.82 TDP1 (0.56) TDP1ATMTTRDTYMKKCNMA1
SCHEMBL28438281 0.82 DTYMK (0.60) TDP1ATMTTRDTYMKKCNMA1
SCHEMBL4647431 0.82 TDP1 (0.56) TDP1ATMTTRDTYMKKCNMA1
Potassium Ion SCHEMBL15876053 0.82 TDP1 (0.56) TDP1ATMTTRDTYMKKCNMA1
SCHEMBL9193556 0.81 DTYMK (0.46) TDP1DTYMKCTSDCASP6ALDH1A1
SCHEMBL9244559 0.80 ALDH1A1 (0.53) DTYMKCTSDCASP6ALDH1A1TSHR
SCHEMBL16953719 0.80 ATM (0.58) TDP1ATMTTRDTYMKKCNMA1
SCHEMBL2243892 0.80 GPR35 (0.56) TDP1DTYMKCES2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112358487-B Lappaconitine derivative, and preparation method and application thereof 中国科学院新疆理化技术研究所 2023-08-25 CN claimed
WO-2022099937-A1 LAPPACONITINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 中国科学院新疆理化技术研究所 2022-05-19 WO claimed
CN-112358487-A Lappaconitine derivative and preparation method and application thereof 中国科学院新疆理化技术研究所 2021-02-12 CN claimed
CN-112358487-B Lappaconitine derivative, and preparation method and application thereof 中国科学院新疆理化技术研究所 2023-08-25 CN disclosed
CN-110997637-B Aromatic derivative, preparation method and application thereof in medicine 保仕健生物科技(上海)有限公司 2022-09-27 CN disclosed
WO-2022099937-A1 LAPPACONITINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 中国科学院新疆理化技术研究所 2022-05-19 WO disclosed
US-11279697-B2 Aromatic derivative, preparation method for same, and medical applications thereof BIOARDIS LLC (US) 2022-03-22 US disclosed
CN-108698982-B Fluorine atom-containing compound and use thereof 日产化学工业株式会社 2021-07-16 CN disclosed
CN-112225675-B Arylamine compound, liquid crystal aligning agent prepared from arylamine compound, liquid crystal aligning film and liquid crystal display element 江苏三月科技股份有限公司 2021-07-06 CN disclosed
CN-112358487-A Lappaconitine derivative and preparation method and application thereof 中国科学院新疆理化技术研究所 2021-02-12 CN disclosed
CN-112225675-A Arylamine compound, liquid crystal aligning agent prepared from arylamine compound, liquid crystal aligning film and liquid crystal display element 江苏三月科技股份有限公司 2021-01-15 CN disclosed
US-5670641-A 3-(3-aryloxyphenyl)-1-(substituted methyl)-S-triazine-2,4,6-oxo or thiotrione herbicidal agents AMERICAN CYANAMID COMPANY (US) 1997-09-23 US disclosed
US-5654256-A PREEMERGENCE, POSTEMERGENCE HERBICIDES AMERICAN CYANAMID COMPANY (US) 1997-08-05 US disclosed
CN-1148592-A 3-(3-aryloxy phenylic)-1-(substituted methyl)-S-triazine-2,4,6-oxo- or sulfo-triketone herbicide AMERICAN CYANAMID CO (US) 1997-04-30 CN disclosed
US-5604180-A RICE CROPS AMERICAN CYANAMID COMPANY 1997-02-18 US disclosed
EP-0745595-A1 3-(3-Aryloxyphenyl)-1-(substituted methyl)-s-triazine-2,4,6-oxo or thiotrione herbicidal agents American Cyanamid Company (US) 1996-12-04 EP disclosed
US-5519133-A CYCLIZATION, ALKYLATION AMERICAN CYANAMID CO. (US) 1996-05-21 US disclosed
EP-0682007-A1 Method for the preparation of 4-halo-2'-nitrobutyrophenone AMERICAN CYANAMID COMPANY (US) 1995-11-15 EP disclosed
US-5414136-A Method for the preparation of 4-halo-2'-nitrobutyrophenone compounds AMERICAN CYANAMID (US) 1995-05-09 US disclosed
EP-0114224-A1 Benzoic-acid esters and method for their preparation F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-08-01 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-11279697-B2 Aromatic derivative, preparation method for same, and medical applications thereof FGFR4, FGFR1, FGFR3 TDP1 1923/4885ATM 652/4885TTR 2370/4885

“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.