SCHEMBL5449014

SCHEMBL5449014

Cc1nc(-c2c(C)c(C#N)c3[nH]c(C(C)(C)C)cn3c2=O)cs1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GAA P10253 3/20 0.34
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
GLA P06280 1/20 0.30
HSD17B10 Q99714 1/20 0.30
APAF1 O14727 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
SCHEMBL5442758 0.86 MEN1 (0.45) KDM4ERXFP1ALDH1A1HPGDGLA
SCHEMBL5439314 0.77 KDM4E (0.39) KDM4ERXFP1GAA
SCHEMBL5442753 0.76 FASN (0.35) KDM4EGAAALDH1A1HPGDGLA
SCHEMBL6313538 0.73 APAF1 (0.56) KDM4ERXFP1GAAALDH1A1HPGD
SCHEMBL10855118 0.71 KDM4E (0.56) KDM4ERXFP1GAAALDH1A1HPGD
SCHEMBL5444551 0.71 GSK3B (0.41) KDM4EGAAALDH1A1HPGDGLA
SCHEMBL5441254 0.70 PARP1 (0.35) KDM4EGAAALDH1A1HPGDGLA
SCHEMBL5444613 0.68 GAA (0.35) KDM4ERXFP1GAAALDH1A1HPGD
SCHEMBL6311054 0.65 KDM4E (0.56) KDM4EGAAALDH1A1HPGDGLA
SCHEMBL6311912 0.63 KDM4E (0.56) KDM4EGAAALDH1A1HPGDGLA

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 3019/4885RXFP1 4160/4885GAA 23/4885

“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.