SCHEMBL545300

SCHEMBL545300

O=[N+]([O-])c1cc(O)ccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 8/20 0.61
MAPT P10636 4/20 0.55
MITF O75030 1/20 0.55
RECQL P46063 1/20 0.55
RAB9A P51151 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 2/20 0.52
CYP3A4 P08684 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
GPR35 Q9HC97 1/20 0.48
MAPK1 P28482 2/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RAF1 P04049 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL1551981 0.83 TSHR (0.64) VCAM1MAPTNPSR1ALDH1A1CYP3A4
SCHEMBL30923019 0.83 TSHR (0.64) VCAM1MAPTNPSR1ALDH1A1CYP3A4
SCHEMBL11691947 0.81 MAPT (0.54) VCAM1MAPTMITFRECQLRAB9A
SCHEMBL213758 0.80 TSHR (0.56) NPSR1ALDH1A1CYP3A4GPR35MAPK1
SCHEMBL29577003 0.80 TSHR (0.56) NPSR1ALDH1A1CYP3A4GPR35MAPK1
SCHEMBL69947 0.78 MAPK1 (0.67) MAPTRAB9AALDH1A1CYP3A4LMNA
SCHEMBL358730 0.78 MAPK1 (0.69) VCAM1ALDH1A1TDP1MAPK1TSHR
SCHEMBL6796101 0.78 ESR1 (0.57) MAPTALDH1A1GPR35MAPK1TSHR
SCHEMBL6031674 0.78 MAPK1 (0.67) MAPTRAB9AALDH1A1CYP3A4LMNA
SCHEMBL5992360 0.78 VCAM1 (0.60) VCAM1MAPTALDH1A1TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114702390-B Preparation method of 4-chloro-3-nitroanisole 常州佳德医药科技有限公司 2024-07-30 CN claimed
US-20220372008-A1 LUCIFERIN DERIVATIVES AND A METHOD FOR SYNTHESIS THEREOF VIDYASIRIMEDHI INSTITUTE OF SCIENCE AND TECHNOLOGY (TH) 2022-11-24 US claimed
CN-114702390-A Preparation method of 4-chloro-3-nitrobenzyl ether 常州佳德医药科技有限公司 2022-07-05 CN claimed
CN-109956895-A A kind of procymidone haptens and its synthetic method and application 深圳市易瑞生物技术股份有限公司 2019-07-02 CN claimed
CN-106336385-B The synthetic method of Yi Zhong Evil humulones 江苏丰华化学工业有限公司 2018-05-11 CN claimed
CN-105621587-B A kind of method using potentiometric titrations degradating chloro nitro-aromatic 浙江大学 2018-01-23 CN claimed
CN-105646231-B A kind of preparation method of the nitrophenol of 2,4 dichloro 5 连云港市金囤农化有限公司 2017-09-22 CN claimed
CN-106336385-A Oxadiazon synthesis method 江苏丰华化学工业有限公司 2017-01-18 CN claimed
CN-105837402-A Preparation method for 2,4-dichloro-5-bromotoluene 常州大学 2016-08-10 CN claimed
CN-105753730-A Method for preparing 2-amino-4-chloro-5-nitrophenol 宜兴市新宇化工有限公司 2016-07-13 CN claimed
CN-105646231-A Method for preparing 2,4-dichloro-5-nitrophenol 连云港市金囤农化有限公司 2016-06-08 CN claimed
CN-105621587-A Method for degrading chloro-nitroaromatic by using sulfate radicals UNIV ZHEJIANG 2016-06-01 CN claimed
CN-102295838-B Six-branched azosiloxane dye and synthesis method thereof ZHEJIANG UNIVERSITY (CN) 2014-10-08 CN claimed
CN-1271027-C Method of synthesizing dihalogenated aromatic ether by phase transfer JIAXING COLLEGE (CN) 2006-08-23 CN claimed
CN-1651380-A Method of synthesizing dihalogenated aromatic ether by phase transfer JIAXING COLLEGE (CN) 2005-08-10 CN claimed
EP-0299891-B1 PROCESS FOR THE SELECTIVE CHLORINATION OF PHENOLIC COMPOUNDS RHONE-POULENC CHIMIE (FR) 1991-12-11 EP claimed
EP-0299891-A1 Process for the selective chlorination of phenolic compounds RHONE-POULENC CHIMIE (FR) 1989-01-18 EP claimed
EP-3704094-B1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2026-03-11 EP disclosed
US-4000270-A INSECTIDES, ACARICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 US disclosed
US-3954919-A INSECTICIDES, MITICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-05-04 US 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-20220372008-A1 LUCIFERIN DERIVATIVES AND A METHOD FOR SYNTHESIS THEREOF NQO1, DDT, GLO1 VCAM1 2891/4885MAPT 3290/4885MITF 1544/4885

“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.