SCHEMBL4603872

SCHEMBL4603872

O=[N+]([O-])c1ccc(Cl)c(Cl)c1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.67
TSHR P16473 3/20 0.48
MAPK1 P28482 1/20 0.48
ATM Q13315 1/20 0.44
VCAM1 P19320 7/20 0.43
ALDH1A1 P00352 4/20 0.42
HIF1A Q16665 2/20 0.41
HPGD P15428 2/20 0.41
CYP3A4 P08684 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
HSD17B10 Q99714 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 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
SCHEMBL29435969 1.00 TDP1 (0.67) TDP1TSHRMAPK1ATMVCAM1
SCHEMBL30490230 0.85 TDP1 (0.57) TDP1TSHRMAPK1ATMVCAM1
SCHEMBL8013048 0.85 TDP1 (0.57) TDP1TSHRMAPK1ATMVCAM1
SCHEMBL306584 0.83 TDP1 (0.67) TDP1TSHRMAPK1ATMVCAM1
SCHEMBL29417506 0.83 TDP1 (0.67) TDP1TSHRMAPK1ATMVCAM1
SCHEMBL308086 0.83 TDP1 (0.50) TDP1TSHRMAPK1ATMVCAM1
SCHEMBL29705108 0.83 TDP1 (0.50) TDP1TSHRMAPK1ATMVCAM1
SCHEMBL18663666 0.82 TDP1 (0.53) TDP1TSHRMAPK1ATMVCAM1
SCHEMBL278488 0.80 TDP1 (1.00) TDP1TSHRMAPK1VCAM1ALDH1A1
SCHEMBL7878524 0.80 TSHR (0.52) TDP1TSHRMAPK1ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114230471-B Preparation method of 3, 4-dichloro-2-fluoroaniline 河北科技大学 2024-01-26 CN claimed
CN-110642720-B Preparation method of 2, 4-difluoro-3, 5-dichloronitrobenzene 浙江吉泰新材料股份有限公司 2022-09-27 CN claimed
CN-114230471-A Preparation method of 3, 4-dichloro-2-fluoroaniline 河北科技大学 2022-03-25 CN claimed
CN-107325001-B Preparation method of 2,3, 4-trifluoronitrobenzene 浙江解氏新材料股份有限公司 2020-03-06 CN claimed
CN-110642720-A Preparation method of 2, 4-difluoro-3, 5-dichloronitrobenzene 浙江林江化工股份有限公司 2020-01-03 CN claimed
CN-102911080-B Method for preparing 2,6-dichloro-alpha-(4-chlorphenyl)-4-nitro phenylacetonitrile UNIV QUZHOU 2015-01-21 CN claimed
CN-117486670-B Synthesis method of 3,4, 5-trifluoro-bromobenzene 山东国邦药业有限公司 2024-03-12 CN disclosed
CN-117486670-A Synthesis method of 3,4, 5-trifluoro-bromobenzene 山东国邦药业有限公司 2024-02-02 CN disclosed
CN-114230471-B Preparation method of 3, 4-dichloro-2-fluoroaniline 河北科技大学 2024-01-26 CN disclosed
CN-114230471-B Preparation method of 3, 4-dichloro-2-fluoroaniline 河北科技大学 2024-01-26 CN disclosed
CN-110642720-B Preparation method of 2, 4-difluoro-3, 5-dichloronitrobenzene 浙江吉泰新材料股份有限公司 2022-09-27 CN disclosed
CN-110642720-B Preparation method of 2, 4-difluoro-3, 5-dichloronitrobenzene 浙江吉泰新材料股份有限公司 2022-09-27 CN disclosed
CN-114230471-A Preparation method of 3, 4-dichloro-2-fluoroaniline 河北科技大学 2022-03-25 CN disclosed
US-6458990-B1 BIS(DIHYDROCARBYLAMINO)DIFLUOROMETHANE OR CYCLIC DERIVATIVES THEREOF; FORMING BY REACTING ALKALI METAL HALIDE WITH THE CORRESPONDING AMIDINIUM SALT; FLUORINATION OF ALCOHOLS, THIOPHENOLS, ALDEHYDES, AND KETONES MITSUI CHEMICALS, INC. (JP) 2002-10-01 US disclosed
US-20020042521-A1 Nitrogen-based halogenating agents and process for preparing halogen-containing compounds SONODA HIROSHI (JP) 2002-04-11 US disclosed
EP-1165504-A2 INHIBITORS OF LFA-1 BINDING TO ICAMs AND USES THEREOF ICOS CORPORATION (US) 2002-01-02 EP disclosed
US-6329529-B1 FOR FLUORINATING OF ORGANIC COMPOUNDS, EFFICIENCY, POLLUTION CONTROL MITSUI CHEMICALS, INC. (JP) 2001-12-11 US disclosed
EP-1097914-A2 Process for the treatment of reaction mixtures, obtained by halogen exchange reactions Clariant GmbH (DE) 2001-05-09 EP disclosed
WO-2000059878-A2 INHIBITORS OF LFA-1 BINDING TO ICAMs AND USES THEREOF ICOS CORPORATION (US) 2000-10-12 WO disclosed
EP-0895991-A2 Halogenating agent Mitsui Chemicals, Inc. (JP) 1999-02-10 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-20020042521-A1 Nitrogen-based halogenating agents and process for preparing halogen-containing compounds AFF1, NAF1, CYP2F1 TDP1 2233/4885TSHR 984/4885MAPK1 444/4885

“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.