SCHEMBL9693389

SCHEMBL9693389

O=[N+]([O-])c1cc(Cl)cc(Cl)c1F

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
TSHR P16473 4/20 0.54
MAPK1 P28482 2/20 0.53
HIF1A Q16665 2/20 0.42
VCAM1 P19320 4/20 0.42
TDP1 Q9NUW8 3/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
EPAS1 Q99814 1/20 0.41
GPR35 Q9HC97 2/20 0.40
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL9693289 0.89 TSHR (0.48) ALDH1A1TSHRMAPK1HIF1AVCAM1
SCHEMBL1467467 0.83 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1HIF1AVCAM1
SCHEMBL9847876 0.83 TSHR (0.44) ALDH1A1TSHRMAPK1HIF1AVCAM1
SCHEMBL9693778 0.82 GPR35 (0.61) ALDH1A1TSHRMAPK1HIF1ATDP1
SCHEMBL31236206 0.81 TSHR (0.45) ALDH1A1TSHRMAPK1HIF1AVCAM1
SCHEMBL8526617 0.81 TSHR (0.45) ALDH1A1TSHRMAPK1HIF1AVCAM1
SCHEMBL18669411 0.80 GPR35 (0.46) ALDH1A1TSHRMAPK1HIF1AVCAM1
SCHEMBL25950214 0.80 TSHR (0.41) ALDH1A1TSHRMAPK1HIF1AVCAM1
SCHEMBL18669404 0.80 ERN1 (0.42) ALDH1A1TSHRMAPK1HIF1AVCAM1
SCHEMBL20471887 0.80 PDE7A (0.43) ALDH1A1TSHRMAPK1HIF1AVCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105130744-B A kind of 2,4 difluoro 3,5 dichloronitrobenzene synthesis 1,3,5 trichlorine, 2,4,6 trifluoro-benzene 浙江林江化工股份有限公司 2017-03-29 CN claimed
CN-1683318-A Synthetic method for 3,5-dichloro-2,4-difluoronitrobenzene and teflubenzuron UNIV ZHEJIANG POLYTECHNIC (CN) 2005-10-19 CN claimed
CN-1020599-C PROCESS FOR PREPARATION OF ACYL UREAS SHELL INT RESEARCH (NL) 1993-05-12 CN claimed
CN-86108203-A Process for preparing acyl ureas 1987-09-02 CN claimed
CN-110191882-B Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them 株式会社大熊制药 2022-09-13 CN disclosed
US-10981917-B2 Heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2021-04-20 US disclosed
WO-2018147626-A1 NOVEL HETEROCYCLIC COMPOUND, ITS PREPARATION METHOD, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2018-08-16 WO disclosed
CN-105130744-B A kind of 2,4 difluoro 3,5 dichloronitrobenzene synthesis 1,3,5 trichlorine, 2,4,6 trifluoro-benzene 浙江林江化工股份有限公司 2017-03-29 CN disclosed
CN-105130744-A Method for synthesizing 1,3,5-trichloro-2,4,6-trifluorobenzene from 2,4-difluoro-3,5-dichloronitrobenzene ZHEJIANG LINJIANG CHEMICAL CO LTD 2015-12-09 CN disclosed
CN-102617360-B Synthetic method of 3, 5-dichloro-2, 4-difluoroaniline JIANGXI JIXIANG PHARMACEUTICAL CO LTD 2013-11-06 CN disclosed
CN-102617360-A Synthetic method of 3, 5-dichloro-2, 4-difluoroaniline JIANGXI JIXIANG PHARMACEUTICAL CO LTD 2012-08-01 CN disclosed
CN-1020599-C PROCESS FOR PREPARATION OF ACYL UREAS SHELL INT RESEARCH (NL) 1993-05-12 CN disclosed
EP-0270964-B1 PROCESS FOR OBTAINING SUBSTITUTED FLUOROBENZENES BAYER AG (DE) 1992-07-08 EP disclosed
EP-0270964-A2 Process for obtaining substituted fluorobenzenes BAYER AG (DE) 1988-06-15 EP disclosed
CN-86108203-A Process for preparing acyl ureas 1987-09-02 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-10981917-B2 Heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same RNASE1, AARS1, DHPS ALDH1A1 2364/4885TSHR 1348/4885MAPK1 2174/4885

“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.