SCHEMBL510298

SCHEMBL510298

Cc1ccc(Cc2ccc(C=C[N+](=O)[O-])cc2)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 13/20 0.53
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
EGFR P00533 1/20 0.45
S1PR4 O95977 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HPGD P15428 1/20 0.41
S1PR1 P21453 1/20 0.41
MAPK1 P28482 1/20 0.41
CCR6 P51684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TLR9 Q9NR96 1/20 0.41
MITF O75030 1/20 0.40
TLR4 O00206 1/20 0.40
TLR2 O60603 1/20 0.40
MAOA P21397 2/20 0.40

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
SCHEMBL510297 1.00 FBP1 (0.53) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL16093385 0.79 MAOA (0.42) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL510682 0.78 CYP2A6 (0.43) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL8973362 0.76 CHRM2 (0.52) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL27721117 0.75 EGFR (0.52) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL510653 0.75 ALOX5 (0.36) ALDH1A1MAPTMEN1KMT2A
SCHEMBL2911747 0.73 FBP1 (0.63) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL27630493 0.73 FBP1 (0.63) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL2911748 0.73 FBP1 (0.63) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL6910818 0.72 FBP1 (0.78) FBP1ALDH1A1LMNAMAPTMEN1

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 FBP1 270/4885ALDH1A1 3642/4885LMNA 3822/4885
US-20100168173-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF ERG28, CBR3, CBR1 FBP1 467/4885ALDH1A1 1934/4885LMNA 4698/4885
US-20120029023-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF CYP4X1, ERG28, CYP51A1 FBP1 394/4885ALDH1A1 770/4885LMNA 4262/4885
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 FBP1 426/4885ALDH1A1 3327/4885LMNA 2506/4885
US-20100160379-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF ERG28, CBR3, CBR1 FBP1 467/4885ALDH1A1 1934/4885LMNA 4698/4885

“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.