SCHEMBL2304516

SCHEMBL2304516

CN(C)CCOC(=O)C(N)CCC(=O)Nc1ncccc1-c1cc(Cc2ccc(COc3ccccn3)cc2)no1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.36
CHRM2 P08172 3/20 0.35
CHRM4 P08173 3/20 0.35
CHRM5 P08912 3/20 0.35
CHRM1 P11229 3/20 0.35
CHRM3 P20309 3/20 0.35
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPY1R P25929 1/20 0.31
NPY2R P49146 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BDKRB1 P46663 1/20 0.30
POLB P06746 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
SCHEMBL2304511 1.00 LTA4H (0.36) LTA4HCHRM2CHRM4CHRM5CHRM1
SCHEMBL2304496 0.91 LTA4H (0.38) LTA4HALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2304501 0.91 LTA4H (0.38) LTA4HALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2302804 0.91 LTA4H (0.44) LTA4HALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2302799 0.91 LTA4H (0.44) LTA4HALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2300619 0.88 LTA4H (0.43) LTA4HMAPTHPGDNPY1RNPY2R
SCHEMBL2300595 0.88 LTA4H (0.43) LTA4HMAPTHPGDNPY1RNPY2R
SCHEMBL2302087 0.87 KLK7 (0.33) LTA4HCHRM2CHRM4CHRM5CHRM1
SCHEMBL2304666 0.87 KLK7 (0.33) LTA4HCHRM2CHRM4CHRM5CHRM1
SCHEMBL2301403 0.79 PPARA (0.36) LTA4HALDH1A1CYP1A2CYP2C9CYP2C19

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 5 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-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

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 1640/4885CHRM2 1229/4885CHRM4 3009/4885
US-20120277439-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND y-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME ASNS, GLUL, IL4I1 LTA4H 2040/4885CHRM2 1232/4885CHRM4 2884/4885

“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.