SCHEMBL5451396

SCHEMBL5451396

CCCCCCc1c(CC)c(C#N)c2[nH]ccn2c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
APAF1 O14727 1/20 0.38
HTT P42858 1/20 0.38
NOD2 Q9HC29 1/20 0.38
MAPT P10636 3/20 0.38
KDM5A P29375 4/20 0.36
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
FPR1 P21462 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
USP2 O75604 1/20 0.33
GRM2 Q14416 1/20 0.32
HSD17B10 Q99714 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
TYMP P19971 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL5458293 0.85 KDM4E (0.53) KDM4EHPGDLMNAALDH1A1GAA
SCHEMBL5447418 0.69 KDM4E (0.58) KDM4EHPGDLMNAALDH1A1GAA
SCHEMBL5441140 0.64 TLR7 (0.39) KDM4EHPGDLMNAALDH1A1GAA
SCHEMBL24988085 0.63 MAPT (0.49) KDM4EHPGDLMNAALDH1A1GAA
SCHEMBL9256546 0.62 MAPT (0.49) KDM4EHPGDLMNAALDH1A1GAA
SCHEMBL8958355 0.62 MAPT (0.50) KDM4EHPGDLMNAALDH1A1GAA
SCHEMBL6543058 0.61 UPP1 (0.51) KDM4EHPGDLMNAALDH1A1GAA
SCHEMBL8941878 0.60 UPP1 (0.61) KDM4EHPGDLMNAALDH1A1GAA
SCHEMBL7017850 0.60 KDM5B (0.59) KDM4EHPGDLMNAALDH1A1KDM5A
SCHEMBL10880958 0.59 MAPT (0.51) KDM4EHPGDALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191395-A1 Heterocyclic compounds having antifungal activity DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
EP-1717238-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP 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 (1 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-20070191395-A1 Heterocyclic compounds having antifungal activity ERG28, MANBA, MAN2B1 KDM4E 3019/4885HPGD 1448/4885LMNA 3512/4885

“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.