SCHEMBL620497

SCHEMBL620497

COc1ccc2ncc(SCCN3CCC(NC(=O)c4cc5c(cc4Cl)SCCN5)CC3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.41
HTR7 P34969 1/20 0.39
SLC2A1 P11166 1/20 0.39
HPGDS O60760 6/20 0.39
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 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
SCHEMBL621354 0.89 MCHR1 (0.40) MCHR1HTR7SLC2A1HPGDSKCNH2
SCHEMBL622683 0.87 KCNH2 (0.43) SLC2A1KCNH2
SCHEMBL621308 0.81 KCNH2 (0.39) MCHR1SLC2A1HPGDSKCNH2KDM4E
SCHEMBL619473 0.79 MCHR1 (0.40) MCHR1HTR7SLC2A1HPGDSKCNH2
SCHEMBL622663 0.78 KCNH2 (0.42) SLC2A1KCNH2
SCHEMBL620674 0.77 KCNH2 (0.40) MCHR1HTR7HPGDSKCNH2
SCHEMBL620130 0.77 HPGDS (0.39) MCHR1HTR7SLC2A1HPGDSKCNH2
SCHEMBL620713 0.76 PIK3CA (0.43) HPGDS
SCHEMBL621994 0.75 FGFR1 (0.41) SLC2A1HPGDSKCNH2ALDH1A1HSD17B10
SCHEMBL621755 0.75 HPGDS (0.46) HTR7SLC2A1HPGDSKCNH2

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 533/4885HTR7 3743/4885SLC2A1 3075/4885

“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.