SCHEMBL620506

SCHEMBL620506

COc1ccc2ncc(OCCN3CCC(NC(=O)OC(C)(C)C)CC3)c(OCc3ccccc3)c2n1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.46
LTA4H P09960 3/20 0.43
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
KDM4E B2RXH2 1/20 0.41
KCNH2 Q12809 3/20 0.41
CCR5 P51681 1/20 0.40
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FGFR4 P22455 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 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
SCHEMBL620541 0.86 KCNH2 (0.45) KCNA3CKS1BSKP1SKP2KCNH2
SCHEMBL621906 0.81 KCNA3 (0.44) KCNA3LTA4HCKS1BSKP1SKP2
SCHEMBL622380 0.80 KCNA3 (0.46) KCNA3LTA4HCKS1BSKP1SKP2
SCHEMBL14250275 0.77 CKS1B (0.37) CKS1BSKP1SKP2KMT2AL3MBTL1
SCHEMBL14250273 0.77 CKS1B (0.37) CKS1BSKP1SKP2KMT2AL3MBTL1
SCHEMBL14250269 0.77 CKS1B (0.37) CKS1BSKP1SKP2KMT2AL3MBTL1
SCHEMBL14250270 0.77 CKS1B (0.37) CKS1BSKP1SKP2KMT2AL3MBTL1
SCHEMBL15954846 0.77 KDM1A (0.37) CKS1BSKP1SKP2KCNH2KMT2A
SCHEMBL14251364 0.77 KDM1A (0.37) CKS1BSKP1SKP2KCNH2KMT2A
SCHEMBL14251362 0.77 KDM1A (0.37) CKS1BSKP1SKP2KCNH2KMT2A

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-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
EP-2389376-A1 NOVEL BICYCLIC ANTIBIOTICS Basilea Pharmaceutica AG (CH) 2011-11-30 EP disclosed
WO-2010084152-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2010-07-29 WO 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 KCNA3 546/4885LTA4H 2528/4885CKS1B 1787/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH KCNA3 643/4885LTA4H 3514/4885CKS1B 699/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH KCNA3 643/4885LTA4H 3514/4885CKS1B 699/4885

“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.