SCHEMBL5445231

SCHEMBL5445231

C=C(C)c1nc2c(C#N)c(C)c(-c3ccccc3)c(Cl)n2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 4/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.41
HSD17B10 Q99714 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA2A P29274 2/20 0.41
GRIA4 P48058 2/20 0.41
GRM5 P41594 1/20 0.41
GRIA2 P42262 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.37
RXFP1 Q9HBX9 2/20 0.37
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HCRTR1 O43613 1/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NTRK1 P04629 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
SCHEMBL5441224 0.83 LMNA (0.48) KDM4EALDH1A1HPGDLMNAHTT
SCHEMBL5450251 0.82 LMNA (0.47) KDM4EALDH1A1HPGDLMNAHTT
SCHEMBL5444536 0.79 LMNA (0.47) KDM4EALDH1A1HPGDLMNAHTT
SCHEMBL5440146 0.79 LMNA (0.44) KDM4EALDH1A1HPGDLMNAHTT
SCHEMBL5441180 0.79 LMNA (0.44) KDM4EALDH1A1HPGDLMNAHTT
SCHEMBL5452691 0.78 LMNA (0.41) KDM4EALDH1A1HPGDLMNAHTT
SCHEMBL5452647 0.77 PDE4D (0.44) KDM4EALDH1A1HPGDLMNAHTT
SCHEMBL5453328 0.77 HSP90AA1 (0.47) KDM4EALDH1A1HPGDLMNAHTT
SCHEMBL5446987 0.77 MEN1 (0.47) KDM4EALDH1A1HPGDLMNAHTT
SCHEMBL5449932 0.76 ALDH1A1 (0.51) KDM4EALDH1A1HPGDLMNAHTT

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 3019/4885ALDH1A1 1357/4885HPGD 1448/4885

“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.