SCHEMBL1106878

SCHEMBL1106878

Nc1ccc(-c2cc(Cc3ccc(Oc4ccc(F)cc4)s3)no2)c(N)n1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
F10 P00742 1/20 0.31
PDE10A Q9Y233 1/20 0.31
CXCR1 P25024 1/20 0.30

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
SCHEMBL510441 0.90 KCNH2 (0.32) KCNH2SCN5ASCN9A
SCHEMBL510212 0.85 CDC7 (0.37) KCNH2SCN5ASCN9APDE10A
SCHEMBL511299 0.84 MEN1 (0.33) F10CXCR1
SCHEMBL510745 0.79 MEN1 (0.42) KCNH2SCN5ASCN9APDE10A
SCHEMBL509453 0.78 MAOB (0.44) PDE10A
SCHEMBL511196 0.76 MAP4K4 (0.36) KCNH2SCN9A
SCHEMBL510822 0.76 JAK2 (0.39) F10PDE10A
SCHEMBL510859 0.75 RAB9A (0.46)
SCHEMBL511749 0.75 PDE10A (0.41) PDE10A
SCHEMBL510426 0.74 MEN1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841327-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-09-23 US disclosed
US-8841327-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-09-23 US disclosed
US-8507530-B2 Pyridine derivatives substituted by heterocyclic ring and phosphonoamino group, and anti-fungal agent containing same EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-13 US disclosed
US-8507530-B2 Pyridine derivatives substituted by heterocyclic ring and phosphonoamino group, and anti-fungal agent containing same EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-13 US disclosed
US-8158657-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-17 US disclosed
US-8158657-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-17 US disclosed
US-8153662-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-10 US disclosed
US-8153662-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-10 US disclosed
US-20120029023-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF TANAKA KEIGO (JP) 2012-02-02 US disclosed
US-20120029023-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF TANAKA KEIGO (JP) 2012-02-02 US disclosed
US-20100168173-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF TANAKA KEIGO 2010-07-01 US disclosed
US-20100168173-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF TANAKA KEIGO 2010-07-01 US disclosed
US-20100160379-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF TANAKA KEIGO 2010-06-24 US disclosed
US-20100160379-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF TANAKA KEIGO 2010-06-24 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
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-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
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 (5 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-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME ERG28, H1-2, H1-3 KCNH2 1004/4885SCN5A 3496/4885SCN9A 3290/4885
US-20100168173-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF ERG28, CBR3, CBR1 KCNH2 536/4885SCN5A 3371/4885SCN9A 3999/4885
US-20120029023-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF CYP4X1, ERG28, CYP51A1 KCNH2 1241/4885SCN5A 4184/4885SCN9A 4263/4885
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 KCNH2 473/4885SCN5A 1757/4885SCN9A 2370/4885
US-20100160379-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF ERG28, CBR3, CBR1 KCNH2 536/4885SCN5A 3371/4885SCN9A 3999/4885

“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.