SCHEMBL205303

SCHEMBL205303

Nc1c(Cl)cc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
CYP3A4 P08684 5/20 0.66
TSHR P16473 2/20 0.66
TDP1 Q9NUW8 2/20 0.66
HPGD P15428 1/20 0.66
ALOX15 P16050 1/20 0.66
HIF1A Q16665 1/20 0.66
TXNRD1 Q16881 1/20 0.66
TXNRD3 Q86VQ6 1/20 0.66
TXNRD2 Q9NNW7 1/20 0.66
PTPN5 P54829 1/20 0.47
MAPT P10636 5/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPK1 P28482 3/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.43
FGFR4 P22455 1/20 0.42

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
SCHEMBL9015339 0.87 ALDH1A1 (0.82) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL17482143 0.87 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL10721260 0.87 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL2415016 0.82 ALDH1A1 (1.00) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL7819749 0.82 ALDH1A1 (0.82) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL12329596 0.81 ALDH1A1 (0.72) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL10285828 0.81 ALDH1A1 (0.72) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL29805021 0.81 CYP3A4 (0.68) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL1193184 0.81 ALDH1A1 (0.72) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL9173191 0.81 ALDH1A1 (0.72) ALDH1A1CYP3A4TSHRTDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107311873-B Method for preparing 2, 6-dichloro-4-trifluoromethylaniline with 99% content LIANYUNGANG AVILIVE CHEMICAL CO., LTD. (CN) 2019-12-10 CN claimed
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 US disclosed
EP-3700340-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF Dow Agrosciences LLC (US) 2020-09-02 EP disclosed
EP-3428148-B1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2020-07-08 EP disclosed
CN-107311873-B Method for preparing 2, 6-dichloro-4-trifluoromethylaniline with 99% content LIANYUNGANG AVILIVE CHEMICAL CO., LTD. (CN) 2019-12-10 CN disclosed
CN-107311873-B Method for preparing 2, 6-dichloro-4-trifluoromethylaniline with 99% content LIANYUNGANG AVILIVE CHEMICAL CO., LTD. (CN) 2019-12-10 CN disclosed
EP-3498696-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO PARASITICIDAL COMPOUNDS Merial, Inc. (US) 2019-06-19 EP disclosed
EP-3428148-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF Merial, Inc. (US) 2019-01-16 EP disclosed
EP-3050874-B1 ENANTIOMERIALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS MERIAL INC (US) 2019-01-09 EP disclosed
EP-3088384-B1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL INC (US) 2018-12-12 EP disclosed
US-20020019414-A1 N-aryl(thio)anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors NOVARTIS AG (CH) 2002-02-14 US disclosed
US-20020010181-A1 Isoquinoline derivatives with angiogenesis inhibiting activity NOVARTIS AG (CH) 2002-01-24 US disclosed
CN-1331680-A N-aryl (thio) anthranilic acid amide derivatives, their prepn. and their use as VEGF receptor tyrosine kinase inhibitors NOVARTIS AG (CH) 2002-01-16 CN disclosed
CN-1319100-A Isoquinoline derivatives having angiogenesis inhibitory activity NOVARTIS AG (CH) 2001-10-24 CN disclosed
EP-1129075-A1 N-ARYL(THIO)ANTHRANILIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VEGF RECEPTOR TYROSINE KINASE INHIBITORS Novartis AG (CH) 2001-09-05 EP disclosed
WO-2001058899-A1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE NOVARTIS AG (CH) 2001-08-16 WO disclosed
EP-1107964-A1 ISOQUINOLINE DERIVATIVES WITH ANGIOGENESIS INHIBITING ACTIVITY Novartis AG (CH) 2001-06-20 EP disclosed
WO-2000027820-A1 N-ARYL(THIO)ANTHRANILIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VEGF RECEPTOR TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2000-05-18 WO disclosed
WO-2000009495-A1 ISOQUINOLINE DERIVATIVES WITH ANGIOGENESIS INHIBITING ACTIVITY NOVARTIS AG (CH) 2000-02-24 WO disclosed
US-4876376-A Process for the halogenation, nitration and fluorination of aromatic derivatives RHONE-POULENC SPECIALISTES CHIMIQUES (FR) 1989-10-24 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 (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-20020010181-A1 Isoquinoline derivatives with angiogenesis inhibiting activity VEGFA, CCNY, PGF ALDH1A1 1995/4885CYP3A4 1517/4885TSHR 2127/4885
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT ALDH1A1 123/4885CYP3A4 239/4885TSHR 1867/4885
US-20020019414-A1 N-aryl(thio)anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors AXL, TYRO3, KDR ALDH1A1 2909/4885CYP3A4 3705/4885TSHR 31/4885

“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.