SCHEMBL2300595

SCHEMBL2300595

N[C@@H](CCC(=O)Nc1ncccc1-c1cc(Cc2ccc(COc3ccccn3)cc2)no1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 14/20 0.43
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CASR P41180 1/20 0.34
SLC1A5 Q15758 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
SCHEMBL2300619 1.00 LTA4H (0.43) LTA4HMAPTHPGDNPY1RNPY2R
SCHEMBL2302804 0.92 LTA4H (0.44) LTA4HMAPTHPGDNPY1RNPY2R
SCHEMBL2302799 0.92 LTA4H (0.44) LTA4HMAPTHPGDNPY1RNPY2R
SCHEMBL2304501 0.91 LTA4H (0.38) LTA4HMAPTHPGDNPY1RNPY2R
SCHEMBL2304496 0.91 LTA4H (0.38) LTA4HMAPTHPGDNPY1RNPY2R
SCHEMBL2304516 0.88 LTA4H (0.36) LTA4HMAPTHPGDNPY1RNPY2R
SCHEMBL2304511 0.88 LTA4H (0.36) LTA4HMAPTHPGDNPY1RNPY2R
SCHEMBL2944987 0.86 SMN1; SMN2 (0.40) MAPTHPGDNPY1RNPY2RSMN1; SMN2
SCHEMBL23788247 0.83 HPGD (0.37) MAPTHPGDNPY1RNPY2RSMN1; SMN2
Lysine SCHEMBL4235915 0.83 LTA4H (0.35) LTA4HSLC1A5

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277439-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND y-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME TANAKA KEIGO (JP) 2012-11-01 US claimed
US-20120277439-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND y-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME TANAKA KEIGO (JP) 2012-11-01 US disclosed
US-20120277439-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND y-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME TANAKA KEIGO (JP) 2012-11-01 US disclosed
US-20120277439-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND y-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME TANAKA KEIGO (JP) 2012-11-01 US disclosed
US-8188119-B2 Pyridine derivatives substituted with heterocyclic ring and γ-glutamylamino group, and antifungal agents containing same EISAI R&D MANAGEMENT CO., LTD (JP) 2012-05-29 US disclosed
US-8188119-B2 Pyridine derivatives substituted with heterocyclic ring and γ-glutamylamino group, and antifungal agents containing same EISAI R&D MANAGEMENT CO., LTD (JP) 2012-05-29 US disclosed
US-8188119-B2 Pyridine derivatives substituted with heterocyclic ring and γ-glutamylamino group, and antifungal agents containing same EISAI R&D MANAGEMENT CO., LTD (JP) 2012-05-29 US disclosed
EP-2351752-A1 PYRIDINE DERIVATIVE HAVING SUBSTITUTED HETERO RING AND SUBSTITUTED y-GLUTAMYLAMINO GROUP, AND ANTI-FUNGAL AGENT COMPRISING SAME Eisai R&D Management Co., Ltd. (JP) 2011-08-03 EP disclosed
US-20100105737-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND gamma-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-29 US disclosed
US-20100105737-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND gamma-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-29 US disclosed
US-20100105737-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND gamma-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-29 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 (2 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-20100105737-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND gamma-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME ASNS, ERG28, GLUL LTA4H 1640/4885MAPT 4301/4885HPGD 2019/4885
US-20120277439-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND y-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME ASNS, GLUL, IL4I1 LTA4H 2040/4885MAPT 4078/4885HPGD 1733/4885

“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.