SCHEMBL621987

SCHEMBL621987

COc1ccc2ncc(OCCCN3CCC(CNCc4ccc5c(n4)NC(=O)CO5)CC3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 16/20 0.59
KCNQ1 P51787 1/20 0.59
CACNA1C Q13936 1/20 0.59

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
SCHEMBL3273196 0.78 KCNH2 (0.60) KCNH2KCNQ1CACNA1C
SCHEMBL621988 0.78 KCNH2 (0.51) KCNH2KCNQ1CACNA1C
SCHEMBL619921 0.78 KCNH2 (0.72) KCNH2KCNQ1CACNA1C
SCHEMBL3273609 0.77 KCNH2 (0.59) KCNH2KCNQ1CACNA1C
SCHEMBL3273619 0.77 KCNH2 (0.59) KCNH2KCNQ1CACNA1C
SCHEMBL4309085 0.77 KCNH2 (0.70) KCNH2KCNQ1CACNA1C
SCHEMBL12046822 0.77 KCNH2 (0.63) KCNH2KCNQ1CACNA1C
SCHEMBL619623 0.76 KCNH2 (0.50) KCNH2
SCHEMBL12060298 0.75 KCNH2 (0.63) KCNH2KCNQ1CACNA1C
SCHEMBL708423 0.74 KCNH2 (1.00) KCNH2KCNQ1CACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927542-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 US claimed
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2014-08-07 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 488/4885KCNQ1 3195/4885CACNA1C 1896/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH KCNH2 584/4885KCNQ1 2951/4885CACNA1C 2308/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH KCNH2 584/4885KCNQ1 2951/4885CACNA1C 2308/4885

“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.