SCHEMBL1863665

SCHEMBL1863665

O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NCc1cc[n+]([O-])cc1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 19/20 0.80
▸ ABL1 P00519 1/20 0.74
▸ EGFR P00533 1/20 0.74
▸ CSF1R P07333 1/20 0.74
▸ PDGFRB P09619 1/20 0.74
▸ KIT P10721 1/20 0.74
▸ FLT1 P17948 1/20 0.74
▸ FLT4 P35916 1/20 0.74
▸ KDR P35968 1/20 0.74

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
SCHEMBL15529379 0.89 RXFP1 (1.00) RXFP1ABL1EGFRCSF1RPDGFRB
SCHEMBL5964880 0.87 RXFP1 (0.61) RXFP1ABL1EGFRCSF1RPDGFRB
SCHEMBL15528722 0.87 RXFP1 (1.00) RXFP1ABL1EGFRCSF1RPDGFRB
SCHEMBL29356168 0.85 KDR (1.00) RXFP1ABL1EGFRCSF1RPDGFRB
SCHEMBL4976103 0.85 KDR (1.00) RXFP1ABL1EGFRCSF1RPDGFRB
SCHEMBL3110637 0.84 KDR (0.66) RXFP1ABL1EGFRCSF1RPDGFRB
SCHEMBL1037818 0.80 RXFP1 (0.75) RXFP1ABL1EGFRCSF1RPDGFRB
SCHEMBL4978213 0.80 KDR (0.79) RXFP1ABL1EGFRCSF1RPDGFRB
SCHEMBL2489551 0.80 ABL1 (0.78) RXFP1ABL1EGFRCSF1RPDGFRB
SCHEMBL1011471 0.80 RXFP1 (0.80) RXFP1ABL1EGFRCSF1RPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2676953-B1 HEMIFUMARATE SALT OF 1-[4-[1-(4-CYCLOHEXYL-3 -TRIFLUOROMETHYL-BENZYLOXYIMINO)-ETHYL]-2-ETHYL-BENZYL]-AZETIDINE-3-CARBOXYLIC ACID FOR USE IN THE TREATMENT OF LYMPHOCYTE MEDIATED DISEASES NOVARTIS AG (CH) 2017-03-22 — — EP claimed
EP-1633336-B1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS NOVARTIS AG (CH) 2016-06-22 — — EP claimed
EP-2676953-A1 Hemifumarate Salt and Medical Indications Novartis AG (CH) 2013-12-25 — — EP claimed
US-20040198782-A1 N-aryl (THIO) anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors ALTMANN KARL-HEINZ (CH) 2004-10-07 — — US claimed
US-20030064992-A1 N-aryl (thio) anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors ALTMANN KARL-HEINZ (CH) 2003-04-03 — — US claimed
US-6448277-B2 ANTITUOR AGENTS, ANTICARCINOGENIC AGENTS NOVARTIS AG (CH) 2002-09-10 — — US claimed
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 claimed
US-20240239743-A1 1-(4-{1-[(E)-4-CYCLOHEXYL-3-TRIFLUOROMETHYLBENZYLOXYIMINO]-ETHYL}-2-ETHYL-BENZYL)-AZETIDINE-3-CARBOXYLIC ACID, (E)-BUT-2-ENEDIOIC ACID NOVARTIS AG (CH) 2024-07-18 — — US disclosed
US-20230357142-A9 1-(4-{1-[(E)-4-CYCLOHEXYL-3-TRIFLUOROMETHYLBENZYLOXYIMINO]-ETHYL}-2-ETHYL-BENZYL)-AZETIDINE-3-CARBOXYLIC ACID, (E)-BUT-2-ENEDIOIC ACID NOVARTIS AG (CH) 2023-11-09 — — US disclosed
US-20220402870-A1 1-(4-{1-[(E)-4-CYCLOHEXYL-3-TRIFLUOROMETHYLBENZYLOXYIMINO]-ETHYL}-2-ETHYL-BENZYL)-AZETIDINE-3-CARBOXYLIC ACID, (E)-BUT-2-ENEDIOIC ACID NOVARTIS AG (CH) 2022-12-22 — — US disclosed
EP-2959894-B1 S1P RECEPTOR MODULATORS FOR TREATING MULTIPLE SCLEROSIS NOVARTIS AG (CH) 2022-10-12 — — EP disclosed
US-20210323915-A1 HEMIFUMARATE SALT OF 1-[4-[1-(4-CYCLOHEXYL-3-TRIFLUOROMETHYL-BENZYLOXYIMINO)-ETHYL]-2-ETHYL-BENZYL]-AZETIDINE-3-CARBOXYLIC ACID NOVARTIS AG (CH) 2021-10-21 — — US disclosed
EP-3797765-A1 S1P RECEPTOR MODULATORS FOR TREATING MULTIPLE SCLEROSIS Novartis AG (CH) 2021-03-31 — — EP disclosed
WO-2004071442-A2 NOVEL BICYCLIC COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-08-26 — — WO disclosed
US-20040048857-A1 Treatment and/or prevention of diseases or disorders mediated by lymphocyte interactions. IRM LLC (BM) 2004-03-11 — — US disclosed
WO-2003099192-A2 BIS-AROMATIC ALKANOLS NOVARTIS AG (CH) 2003-12-04 — — WO disclosed
WO-2003097028-A1 USE OF EDG RECEPTOR BINDING AGENTS IN CANCER NOVARTIS AG (CH) 2003-11-27 — — WO disclosed
US-20030064992-A1 N-aryl (thio) anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors ALTMANN KARL-HEINZ (CH) 2003-04-03 — — US disclosed
US-6448277-B2 ANTITUOR AGENTS, ANTICARCINOGENIC AGENTS NOVARTIS AG (CH) 2002-09-10 — — US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20210323915-A1 HEMIFUMARATE SALT OF 1-[4-[1-(4-CYCLOHEXYL-3-TRIFLUOROMETHYL-BENZYLOXYIMINO)-ETHYL]-2-ETHYL-BENZYL]-AZETIDINE-3-CARBOXYLIC ACID QDPR, CYP4F11, CYP2F1 RXFP1 3377/4885ABL1 536/4885EGFR 1708/4885
US-20220402870-A1 1-(4-{1-[(E)-4-CYCLOHEXYL-3-TRIFLUOROMETHYLBENZYLOXYIMINO]-ETHYL}-2-ETHYL-BENZYL)-AZETIDINE-3-CARBOXYLIC ACID, (E)-BUT-2-ENEDIOIC ACID ETV1, ENY2, SLC10A1 RXFP1 2389/4885ABL1 428/4885EGFR 540/4885
US-20040048857-A1 Treatment and/or prevention of diseases or disorders mediated by lymphocyte interactions. CD4, HLA-DRB1, MALT1 RXFP1 4794/4885ABL1 656/4885EGFR 3400/4885
US-20240239743-A1 1-(4-{1-[(E)-4-CYCLOHEXYL-3-TRIFLUOROMETHYLBENZYLOXYIMINO]-ETHYL}-2-ETHYL-BENZYL)-AZETIDINE-3-CARBOXYLIC ACID, (E)-BUT-2-ENEDIOIC ACID ETV1, QDPR, SLC10A1 RXFP1 2620/4885ABL1 410/4885EGFR 550/4885
US-20030064992-A1 N-aryl (thio) anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors AXL, TYRO3, NR2E3 RXFP1 106/4885ABL1 171/4885EGFR 8/4885
US-20020019414-A1 N-aryl(thio)anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors AXL, TYRO3, KDR RXFP1 87/4885ABL1 152/4885EGFR 7/4885
US-20040198782-A1 N-aryl (THIO) anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors AXL, TYRO3, NR2E3 RXFP1 128/4885ABL1 167/4885EGFR 8/4885
US-20230357142-A9 1-(4-{1-[(E)-4-CYCLOHEXYL-3-TRIFLUOROMETHYLBENZYLOXYIMINO]-ETHYL}-2-ETHYL-BENZYL)-AZETIDINE-3-CARBOXYLIC ACID, (E)-BUT-2-ENEDIOIC ACID ETV1, ENY2, SLC10A1 RXFP1 2389/4885ABL1 428/4885EGFR 540/4885

“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.

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