SCHEMBL510132

SCHEMBL510132

ON=C(Cl)Cc1ccc(Oc2cccc(F)c2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.42
MAP4K4 O95819 1/20 0.41
HRH3 Q9Y5N1 2/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
BRCA1 P38398 1/20 0.39
HBB P68871 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KCNH2 Q12809 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
RET P07949 1/20 0.36
ACACB O00763 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
USP2 O75604 1/20 0.34
FFAR4 Q5NUL3 2/20 0.34
MPO P05164 1/20 0.34

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
SCHEMBL510131 1.00 EGLN1 (0.42) EGLN1MAP4K4HRH3KDM4EALDH1A1
SCHEMBL510303 0.85 MEN1 (0.52) EGLN1HRH3KDM4EALDH1A1KMT2A
SCHEMBL510304 0.85 MEN1 (0.52) EGLN1HRH3KDM4EALDH1A1KMT2A
SCHEMBL510445 0.84 MPO (0.42) EGLN1KCNH2ACACBMPO
SCHEMBL510444 0.84 MPO (0.42) EGLN1KCNH2ACACBMPO
SCHEMBL510202 0.82 HTR2C (0.41) EGLN1ALDH1A1KMT2AMEN1KCNH2
SCHEMBL510203 0.82 HTR2C (0.41) EGLN1ALDH1A1KMT2AMEN1KCNH2
SCHEMBL4757964 0.79 EGLN1 (0.42) EGLN1MAP4K4HRH3KDM4EALDH1A1
SCHEMBL4757966 0.79 EGLN1 (0.42) EGLN1MAP4K4HRH3KDM4EALDH1A1
SCHEMBL27299560 0.78 MAOB (0.50) EGLN1MAP4K4HRH3KDM4EALDH1A1

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 13 patents. 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
EP-1944303-B1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROCYCLE AND FUNGICIDE CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2013-08-21 EP 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-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-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-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
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
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

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 EGLN1 105/4885MAP4K4 630/4885HRH3 40/4885
US-20100168173-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF ERG28, CBR3, CBR1 EGLN1 264/4885MAP4K4 1874/4885HRH3 106/4885
US-20120029023-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF CYP4X1, ERG28, CYP51A1 EGLN1 684/4885MAP4K4 1404/4885HRH3 197/4885
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 EGLN1 344/4885MAP4K4 2997/4885HRH3 113/4885
US-20100160379-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF ERG28, CBR3, CBR1 EGLN1 264/4885MAP4K4 1874/4885HRH3 106/4885

“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.