SCHEMBL4376485

SCHEMBL4376485

Nc1cc(Cl)c([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
CYP3A4 P08684 3/20 0.62
ALOX15 P16050 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 1/20 0.47
SLC25A1 P53007 1/20 0.46
VCAM1 P19320 2/20 0.45
DTYMK P23919 1/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
GRIA2 P42262 1/20 0.41
SLC9A1 P19634 1/20 0.41
IDO1 P14902 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 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
SCHEMBL28072681 1.00 ALDH1A1 (0.62) ALDH1A1CYP3A4ALOX15TDP1LMNA
SCHEMBL31102046 1.00 ALDH1A1 (0.62) ALDH1A1CYP3A4ALOX15TDP1LMNA
SCHEMBL4004999 0.93 ALDH1A1 (0.57) ALDH1A1CYP3A4ALOX15TDP1LMNA
SCHEMBL7372231 0.86 ALDH1A1 (0.62) ALDH1A1CYP3A4ALOX15TDP1LMNA
SCHEMBL1964055 0.86 ALDH1A1 (0.57) ALDH1A1CYP3A4ALOX15TDP1LMNA
SCHEMBL2826498 0.84 TDP1 (0.56) ALDH1A1CYP3A4ALOX15TDP1LMNA
SCHEMBL9377747 0.84 TDP1 (0.56) ALDH1A1CYP3A4ALOX15TDP1LMNA
SCHEMBL613001 0.84 ALDH1A1 (0.53) ALDH1A1CYP3A4LMNASLC25A1VCAM1
Hydrochloric Acid SCHEMBL11773238 0.82 ALDH1A1 (0.51) ALDH1A1CYP3A4LMNASLC25A1VCAM1
SCHEMBL611920 0.82 ALDH1A1 (0.51) ALDH1A1CYP3A4LMNASLC25A1VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117567287-A Synthesis method of 2, 4-dichloro-5-nitrobenzoic acid 扬州市荣晶新材料科技有限公司 2024-02-20 CN claimed
CN-105712940-A Preparation method for Afatinib intermediate 6-nitryl-7-chlorol-4-quinazolinone 南京师范大学 2016-06-29 CN claimed
CN-118420528-A Preparation method of 7-halogeno-6-nitro-1, 4-dihydro-quinoline-4-ketone-3-carbonitrile 浙江普洛家园药业有限公司 2024-08-02 CN disclosed
CN-117586126-A Synthesis method of 4, 6-dichloro-3-hydroxy-2-nitrobenzoic acid 扬州市荣晶新材料科技有限公司 2024-02-23 CN disclosed
CN-117567287-A Synthesis method of 2, 4-dichloro-5-nitrobenzoic acid 扬州市荣晶新材料科技有限公司 2024-02-20 CN disclosed
CN-117567287-A Synthesis method of 2, 4-dichloro-5-nitrobenzoic acid 扬州市荣晶新材料科技有限公司 2024-02-20 CN disclosed
CN-105712940-A Preparation method for Afatinib intermediate 6-nitryl-7-chlorol-4-quinazolinone 南京师范大学 2016-06-29 CN disclosed
US-8367824-B2 Reacting anthranilic acid with formic acid compound in presence of a catalyst and solvent UBE INDUSTRIES LTD. (JP) 2013-02-05 US disclosed
EP-1477481-B1 PROCESS FOR PRODUCING QUINAZOLIN-4-ONE DERIVATIVE UBE INDUSTRIES (JP) 2009-07-22 EP disclosed
US-20050080262-A1 Process for producing quinazolin-4-one derivative UBE INDUSTRIES, LTD. (JP) 2005-04-14 US disclosed
EP-1477481-A1 PROCESS FOR PRODUCING QUINAZOLIN-4-ONE DERIVATIVE Ube Industries, Ltd. (JP) 2004-11-17 EP disclosed
EP-0216028-A2 Use of anthranilic-acid derivatives as anthelmintic medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-01 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-20050080262-A1 Process for producing quinazolin-4-one derivative NQO2, SDHA, CYP3A4 ALDH1A1 477/4885CYP3A4 3/4885ALOX15 3205/4885

“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.