SCHEMBL509229

SCHEMBL509229

O=[N+]([O-])CCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.58
FFAR4 Q5NUL3 1/20 0.58
LTA4H P09960 1/20 0.55
EPHX2 P34913 1/20 0.55
BCHE P06276 2/20 0.53
CYP1A2 P05177 2/20 0.51
LMNA P02545 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGS2 P35354 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HIF1A Q16665 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MAOB P27338 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
CA5A P35218 1/20 0.51

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
SCHEMBL510588 0.95 FFAR1 (0.57) FFAR1FFAR4LTA4HEPHX2BCHE
SCHEMBL510153 0.84 CYP4F2 (0.60) FFAR1BCHEMAOBMGLL
SCHEMBL10245365 0.84 FFAR1 (0.62) FFAR1FFAR4LTA4HEPHX2BCHE
SCHEMBL20607728 0.83 LMNA (0.55) FFAR1FFAR4LTA4HEPHX2BCHE
SCHEMBL264237 0.82 CNR1 (0.46) CYP1A2LMNACYP2C19ALDH1A1ALOX15
SCHEMBL509897 0.81 FFAR1 (0.54) FFAR1FFAR4LTA4HEPHX2MGLL
SCHEMBL511005 0.81 ALDH1A1 (0.54) CYP1A2LMNAMAOBMEN1ALDH1A1
Hydrogen Peroxide SCHEMBL28697848 0.80 CYP1A2 (0.47) FFAR1CYP1A2CYP2C19SLC6A3HDAC6
SCHEMBL3234304 0.80 MAOA (0.43) FFAR1LMNAMAOBMAPTMEN1
SCHEMBL11207496 0.79 CALM1 (0.48) FFAR1LTA4HCYP1A2LMNACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250101012-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS BASILEA PHARMACEUTICA INTERNATIONAL AG, ALLSCHWIL (CH) 2025-03-27 US disclosed
US-12139479-B2 Heterocycle substituted pyridine derivative antifungal agents BASILEA PHARMACEUTICA INTERNATIONAL AG, ALLSCHWIL (CH) 2024-11-12 US disclosed
EP-3720438-B1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS AMPLYX PHARMACEUTICALS INC (US) 2023-08-30 EP disclosed
CN-111698989-B Heterocyclic substituted pyridine derivatives as antifungal agents 安普利克斯制药公司 2023-08-01 CN disclosed
US-20230065881-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS AMPLYX PHARMACEUTICALS, INC. (US) 2023-03-02 US disclosed
US-11512079-B2 Heterocycle substituted pyridine derivative antifungal agents AMPLYX PHARMACEUTICALS, INC. (US) 2022-11-29 US disclosed
US-20210163461-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS BASILEA PHARMACEUTICA INTERNATIONAL AG, ALLSCHWIL (CH) 2021-06-03 US disclosed
WO-2020247804-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS AMPLYX PHARMACEUTICALS, INC. (US) 2020-12-10 WO disclosed
EP-3720438-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS Amplyx Pharmaceuticals, Inc. (US) 2020-10-14 EP disclosed
CN-111698989-A Heterocyclic substituted pyridine derivative antifungal agent 安普利克斯制药公司 2020-09-22 CN disclosed
US-7691882-B2 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-06 US disclosed
US-7691882-B2 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-06 US disclosed
CN-101668767-A Pyridine derivatives substituted with heterocyclic ring and phosphonoamino group and antifungal agent containing the same EISAI R&D MAN CO LTD 2010-03-10 CN disclosed
EP-2141171-A1 PYRIDINE DERIVATIVE SUBSTITUTED WITH HETEROCYCLE AND PHOSPHONOAMINO AND ANTIFUNGAL AGENT CONTAINING THE SAME Eisai R&D Management Co., Ltd. (JP) 2010-01-06 EP disclosed
US-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-03-26 US disclosed
US-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-03-26 US disclosed
CN-101300250-A Heterocyclic substituted pyridine derivative and antifungal agent containing the same EISAI R&D MAN CO LTD (JP) 2008-11-05 CN disclosed
EP-1944303-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROCYCLE AND FUNGICIDE CONTAINING THE SAME Eisai R&D Management Co., Ltd. (JP) 2008-07-16 EP disclosed
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 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 (7 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-20250101012-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS ERG28, DPM1, CYP51A1 FFAR1 3847/4885FFAR4 3780/4885LTA4H 1695/4885
US-20210163461-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS ERG28, DPM1, CYP51A1 FFAR1 3847/4885FFAR4 3780/4885LTA4H 1695/4885
US-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME ERG28, H1-2, H1-3 FFAR1 3258/4885FFAR4 4590/4885LTA4H 2577/4885
US-20230065881-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS ERG28, DPM1, CYP51A1 FFAR1 3847/4885FFAR4 3780/4885LTA4H 1695/4885
US-12139479-B2 Heterocycle substituted pyridine derivative antifungal agents ERG28, DPM1, CYP51A1 FFAR1 3847/4885FFAR4 3780/4885LTA4H 1695/4885
US-11512079-B2 Heterocycle substituted pyridine derivative antifungal agents ERG28, DPM1, CYP51A1 FFAR1 3847/4885FFAR4 3780/4885LTA4H 1695/4885
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells GPI, ERG28, MAN2A1 FFAR1 4158/4885FFAR4 4388/4885LTA4H 1316/4885

“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.