SCHEMBL621708

SCHEMBL621708

COc1ccc2ncc(SCC=O)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.44
PDGFRA P16234 4/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
NQO2 P16083 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 2/20 0.41
F2 P00734 1/20 0.41
GLA P06280 1/20 0.41
HPGDS O60760 4/20 0.40
MAPT P10636 1/20 0.40
EGFR P00533 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 2/20 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
SCHEMBL622278 0.80 ALDH1A1 (0.51) PDGFRBPDGFRAALDH1A1KDM4EPOLB
SCHEMBL619687 0.80 KDM4E (0.46) PDGFRBPDGFRAALDH1A1KDM4EPOLB
SCHEMBL12990926 0.76 KDM4E (0.59) ALDH1A1KDM4EPOLBMEN1NPC1
SCHEMBL14970152 0.70 ALDH1A1 (0.56) PDGFRBPDGFRAALDH1A1KDM4EPOLB
SCHEMBL620404 0.69 FGFR3 (0.47) PDGFRBPDGFRA
SCHEMBL31283539 0.69 MAPT (0.48) ALDH1A1KDM4EPOLBMEN1NPC1
SCHEMBL10272929 0.69 ALDH1A1 (0.51) PDGFRBPDGFRAALDH1A1KDM4EPOLB
SCHEMBL1740687 0.69 HPGDS (0.50) PDGFRBPDGFRAKDM4ELMNAHPGDS
SCHEMBL17848964 0.69 PDGFRB (0.48) PDGFRBPDGFRAALDH1A1KDM4EPOLB
SCHEMBL23651807 0.68 ALDH1A1 (0.55) PDGFRBPDGFRAALDH1A1KDM4EPOLB

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 PDGFRB 4750/4885PDGFRA 4741/4885ALDH1A1 4235/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH PDGFRB 4785/4885PDGFRA 4737/4885ALDH1A1 4353/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH PDGFRB 4785/4885PDGFRA 4737/4885ALDH1A1 4353/4885

“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.