SCHEMBL619920

SCHEMBL619920

COc1ccc2ncc(SCCN3CCC(NC(=O)c4nc5c(cc4Cl)SCC(=O)N5)CC3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC2A1 P11166 1/20 0.38
KCNH2 Q12809 4/20 0.38
MCHR1 Q99705 3/20 0.38
KCNQ1 P51787 1/20 0.38
CACNA1C Q13936 1/20 0.38
POLB P06746 1/20 0.37
HPGDS O60760 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
SCHEMBL621308 0.90 KCNH2 (0.39) KDM4EALDH1A1HPGDHSD17B10SLC2A1
SCHEMBL619473 0.89 MCHR1 (0.40) KDM4EALDH1A1HPGDHSD17B10SLC2A1
SCHEMBL619715 0.89 MCHR1 (0.41) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL620152 0.84 HPGD (0.46) ALDH1A1HPGDMCHR1POLBHPGDS
SCHEMBL621354 0.79 MCHR1 (0.40) SLC2A1KCNH2MCHR1KCNQ1CACNA1C
SCHEMBL620674 0.78 KCNH2 (0.40) KCNH2MCHR1KCNQ1CACNA1CHPGDS
SCHEMBL15661895 0.77 KCNH2 (0.42) KCNH2KCNQ1CACNA1C
SCHEMBL620130 0.74 HPGDS (0.39) SLC2A1KCNH2MCHR1HPGDS
SCHEMBL622271 0.74 MET (0.45) KDM4EALDH1A1HPGDHSD17B10MCHR1
SCHEMBL622377 0.74 HPGDS (0.40) KCNH2KCNQ1CACNA1CHPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040957-A1 Novel Bicyclic Antibiotics BASILEA PHARMACEUTICA AG 2012-02-16 US 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-20120040957-A1 Novel Bicyclic Antibiotics C5, C1S, CBR3 KDM4E 3573/4885ALDH1A1 4235/4885HPGD 3555/4885

“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.