SCHEMBL5444141

SCHEMBL5444141

Cc1c(-c2ccccc2)c(=O)n2nc(CC(C)C)[nH]c2c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 8/20 0.47
HPGD P15428 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 4/20 0.40
HTT P42858 3/20 0.40
MAPT P10636 2/20 0.40
APAF1 O14727 2/20 0.40
RAB9A P51151 1/20 0.40
GRM2 Q14416 1/20 0.38
HSD17B10 Q99714 2/20 0.38
ADRA2A P08913 1/20 0.38
ADORA2A P29274 1/20 0.38
GLA P06280 2/20 0.37

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
SCHEMBL5449952 0.88 KDM4E (0.44) KDM4EALDH1A1HPGDSMN1; SMN2CYP1A2
SCHEMBL5446948 0.85 MEN1 (0.41) KDM4EALDH1A1HPGDSMN1; SMN2CYP1A2
SCHEMBL5444720 0.84 KDM4E (0.47) KDM4EALDH1A1HPGDSMN1; SMN2CYP1A2
SCHEMBL5442281 0.83 CYP1A2 (0.43) KDM4EALDH1A1HPGDSMN1; SMN2CYP1A2
SCHEMBL5444157 0.83 CYP1A2 (0.46) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL5444663 0.83 CYP1A2 (0.46) KDM4EALDH1A1HPGDSMN1; SMN2CYP1A2
SCHEMBL5452807 0.80 CYP2C9 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2CYP1A2
SCHEMBL5451354 0.79 CYP1A2 (0.43) KDM4EALDH1A1HPGDSMN1; SMN2CYP1A2
SCHEMBL5444382 0.78 CYP1A2 (0.42) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL5444127 0.77 MEN1 (0.42) KDM4EALDH1A1HPGDSMN1; SMN2CYP1A2

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.