SCHEMBL5447458

SCHEMBL5447458

COCc1nc2c(C#N)c(C)c(-c3ccccc3)c(Cl)n2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
GRM5 P41594 2/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 3/20 0.41
ADRA2A P08913 1/20 0.41
ADORA2A P29274 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MDM2 Q00987 1/20 0.37
HSP90AA1 P07900 1/20 0.36
NRP1 O14786 1/20 0.36

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
SCHEMBL5444536 0.87 LMNA (0.47) LMNAGRM5KDM4EALDH1A1MAPK1
SCHEMBL5453328 0.85 HSP90AA1 (0.47) LMNAGRM5KDM4EALDH1A1HTT
SCHEMBL5449932 0.84 ALDH1A1 (0.51) LMNAGRM5KDM4EALDH1A1HTT
SCHEMBL5444608 0.83 HPGD (0.48) LMNAGRM5KDM4EALDH1A1HTT
SCHEMBL5449311 0.83 LMNA (0.40) LMNAGRM5KDM4EALDH1A1MAPK1
SCHEMBL5441224 0.82 LMNA (0.48) LMNAGRM5KDM4EALDH1A1HTT
SCHEMBL5450251 0.81 LMNA (0.47) LMNAGRM5KDM4EALDH1A1HTT
SCHEMBL5452647 0.79 PDE4D (0.44) LMNAGRM5KDM4EALDH1A1HTT
SCHEMBL5440146 0.78 LMNA (0.44) LMNAGRM5KDM4EALDH1A1HTT
SCHEMBL5441180 0.78 LMNA (0.44) LMNAGRM5KDM4EALDH1A1HTT

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 LMNA 3512/4885GRM5 3837/4885KDM4E 3019/4885

“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.