SCHEMBL4875401

SCHEMBL4875401

O=[N+]([O-])c1cc(O)c(F)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
CYP3A4 P08684 1/20 0.62
GPR35 Q9HC97 3/20 0.46
MAPK1 P28482 2/20 0.46
CXCR2 P25025 2/20 0.46
TSHR P16473 1/20 0.46
VCAM1 P19320 2/20 0.44
TTR P02766 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
SNCA P37840 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
RECQL P46063 1/20 0.44
PMP22 Q01453 1/20 0.44

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
SCHEMBL22123135 0.92 ALDH1A1 (0.58) ALDH1A1CYP3A4GPR35MAPK1CXCR2
SCHEMBL27945396 0.91 ALDH1A1 (0.56) ALDH1A1CYP3A4GPR35MAPK1CXCR2
SCHEMBL811001 0.85 ALDH1A1 (0.53) ALDH1A1CYP3A4GPR35MAPK1TSHR
SCHEMBL68172 0.84 ALDH1A1 (0.71) ALDH1A1CYP3A4GPR35MAPK1CXCR2
SCHEMBL29653309 0.84 TSHR (0.52) ALDH1A1CYP3A4GPR35MAPK1TSHR
SCHEMBL2477068 0.84 TSHR (0.52) ALDH1A1CYP3A4GPR35MAPK1TSHR
SCHEMBL8967138 0.82 TDP1 (0.50) ALDH1A1CYP3A4GPR35MAPK1TSHR
SCHEMBL11555308 0.82 ALDH1A1 (0.69) ALDH1A1CYP3A4GPR35MAPK1CXCR2
SCHEMBL2565885 0.82 ALDH1A1 (0.69) ALDH1A1CYP3A4GPR35MAPK1CXCR2
SCHEMBL9694173 0.82 TSHR (0.50) ALDH1A1CYP3A4GPR35MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116102575-B Cyclic 2-aminopyrimidine compound and application thereof 暨南大学 2025-01-17 CN disclosed
US-20240300932-A1 N-PHENYLIMINE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF GUIZHOU UNIVERSITY (CN) 2024-09-12 US disclosed
WO-2024174317-A1 N-PHENYLIMINE-CONTAINING DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 贵州大学 2024-08-29 WO disclosed
CN-116731003-A N-phenylimine-containing derivative, and preparation method and application thereof 贵州大学 2023-09-12 CN disclosed
WO-2023082052-A1 CYCLIC 2-AMINOPYRIMIDINE COMPOUND AND APPLICATION THEREOF 暨南大学 2023-05-19 WO disclosed
CN-116102575-A Cyclic 2-aminopyrimidine compound and application thereof 暨南大学 2023-05-12 CN disclosed
US-20110053934-A1 COMPOUNDS AND METHODS OF TREATMENT GLAXOSMITHKLINE LLC (US) 2011-03-03 US disclosed
US-20080234267-A1 Compounds and Methods of Treatment SMITHKLINE BEECHAM CORPORATION 2008-09-25 US disclosed
US-6528455-B1 Post or preemergence herbicides such as 3-(4-chloro-2-fluoro -5-(1-methoxycarbonyl-1-vinyloxy)phenyl)-1-methyl-6-trifluoro methyl-2,4-pyrimidinedione BASF AKTIENGESELLSCHAFT (DE) 2003-03-04 US disclosed
US-5136868-A HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF FMC CORPORATION (US) 1992-08-11 US disclosed
EP-0161304-B1 HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF FMC Corporation (US) 1990-01-10 EP disclosed
EP-0161304-A4 HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF. FMC CORP (US) 1986-04-15 EP disclosed
EP-0161304-A1 HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF. FMC CORP (US) 1985-11-21 EP disclosed
WO-1985001939-A1 HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF FMC CORPORATION (US) 1985-05-09 WO 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 (3 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-20240300932-A1 N-PHENYLIMINE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF PNMT, NNMT, PAH ALDH1A1 780/4885CYP3A4 24/4885GPR35 3342/4885
US-20110053934-A1 COMPOUNDS AND METHODS OF TREATMENT RET, ABL1, PRKACA ALDH1A1 3221/4885CYP3A4 4820/4885GPR35 2652/4885
US-20080234267-A1 Compounds and Methods of Treatment RET, ABL1, PRKACA ALDH1A1 3221/4885CYP3A4 4820/4885GPR35 2652/4885

“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.