SCHEMBL622683

SCHEMBL622683

COc1ccc2ncc(SCCN3CCC(NCc4cc5c(cc4Cl)SCCN5)CC3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.43
SLC2A1 P11166 3/20 0.42
KCNQ1 P51787 1/20 0.37
CACNA1C Q13936 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
SCHEMBL622663 0.89 KCNH2 (0.42) KCNH2SLC2A1KCNQ1CACNA1C
SCHEMBL620497 0.87 MCHR1 (0.41) KCNH2SLC2A1
SCHEMBL621354 0.78 MCHR1 (0.40) KCNH2SLC2A1KCNQ1CACNA1C
SCHEMBL622330 0.78 KCNH2 (0.43) KCNH2SLC2A1KCNQ1CACNA1C
SCHEMBL621994 0.77 FGFR1 (0.41) KCNH2SLC2A1KCNQ1CACNA1C
SCHEMBL620404 0.74 FGFR3 (0.47) KCNH2
SCHEMBL622100 0.73 KCNH2 (0.63) KCNH2SLC2A1
SCHEMBL621713 0.73 KCNH2 (0.46) KCNH2KCNQ1CACNA1C
SCHEMBL621308 0.73 KCNH2 (0.39) KCNH2SLC2A1KCNQ1CACNA1C
SCHEMBL621993 0.72 FGFR1 (0.39) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716280-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-05-06 US claimed
US-9133219-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-15 US disclosed
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS Basiliea Pharmaceutica AG 2015-03-19 US disclosed
US-8927542-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 US disclosed
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2014-08-07 US disclosed
US-8716280-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-05-06 US disclosed
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 (3 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 KCNH2 488/4885SLC2A1 3075/4885KCNQ1 3195/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH KCNH2 584/4885SLC2A1 4405/4885KCNQ1 2951/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH KCNH2 584/4885SLC2A1 4405/4885KCNQ1 2951/4885

“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.