SCHEMBL619715

SCHEMBL619715

COc1ccc2ncc(SCCN3CCC(NC(=O)c4ccc5c(n4)NC(=O)CS5)CC3)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KCNH2 Q12809 2/20 0.39
KCNQ1 P51787 1/20 0.39
CACNA1C Q13936 1/20 0.39
HTR7 P34969 1/20 0.39
POLB P06746 1/20 0.38
HPGDS O60760 3/20 0.38

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
SCHEMBL620674 0.90 KCNH2 (0.40) MCHR1KCNH2KCNQ1CACNA1CHTR7
SCHEMBL619920 0.89 KDM4E (0.39) MCHR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL620152 0.88 HPGD (0.46) MCHR1ALDH1A1HPGDPOLBHPGDS
SCHEMBL622377 0.85 HPGDS (0.40) KCNH2KCNQ1CACNA1CHTR7HPGDS
SCHEMBL619473 0.85 MCHR1 (0.40) MCHR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL621527 0.82 HTR7 (0.45) MCHR1KCNH2HTR7POLBHPGDS
Hydrochloric Acid SCHEMBL6079190 0.82 SLC2A1 (0.51) KCNH2
SCHEMBL621308 0.78 KCNH2 (0.39) MCHR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5309916 0.78 SLC2A1 (0.61) KCNH2
SCHEMBL6079601 0.76 KCNH2 (0.57) KCNH2

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 MCHR1 533/4885KDM4E 3573/4885ALDH1A1 4235/4885

“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.