SCHEMBL620541

SCHEMBL620541

COc1ccc2ncc(OCCN3CCC(NC(=O)OC(C)(C)C)CC3)c(O)c2n1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.45
KCNA3 P22001 1/20 0.44
ATM Q13315 1/20 0.42
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
FGFR4 P22455 1/20 0.40
MAP4K4 O95819 2/20 0.40
KDM4D Q6B0I6 1/20 0.40
MET P08581 1/20 0.39

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
SCHEMBL620506 0.86 KCNA3 (0.46) KCNH2KCNA3ATMCKS1BSKP1
SCHEMBL621906 0.85 KCNA3 (0.44) KCNH2KCNA3ATMCKS1BSKP1
SCHEMBL622380 0.83 KCNA3 (0.46) KCNA3ATMCKS1BSKP1SKP2
SCHEMBL3791032 0.81 LTA4H (0.40) KCNH2
SCHEMBL14610728 0.81 KCNH2 (0.66) KCNH2KCNA3
SCHEMBL31623742 0.81 KCNH2 (0.66) KCNH2KCNA3
SCHEMBL10313830 0.78 KCNH2 (0.59) KCNH2KCNA3ATMCKS1BSKP1
SCHEMBL622206 0.78 PIK3CA (0.45) KCNA3ATMCKS1BSKP1SKP2
SCHEMBL5744343 0.77 KCNH2 (0.49) KCNH2CKS1BSKP1SKP2
SCHEMBL17861460 0.77 CKS1B (0.48) KCNH2CKS1BSKP1SKP2MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 488/4885KCNA3 546/4885ATM 3007/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH KCNH2 584/4885KCNA3 643/4885ATM 2965/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH KCNH2 584/4885KCNA3 643/4885ATM 2965/4885

“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.