SCHEMBL622676

SCHEMBL622676

COc1cnc2ccc(Cl)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 7/20 0.47
PDGFRA P16234 7/20 0.47
ALDH1A1 P00352 5/20 0.46
RAB9A P51151 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
NQO2 P16083 1/20 0.46
F2 P00734 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
EGFR P00533 2/20 0.41
HPGDS O60760 3/20 0.41
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL559347 0.86 ALDH1A1 (0.55) PDGFRBPDGFRAALDH1A1RAB9AKMT2A
SCHEMBL10658291 0.82 NCF1 (0.59) PDGFRBPDGFRAALDH1A1RAB9AKMT2A
SCHEMBL15884435 0.81 PDGFRB (0.44) PDGFRBPDGFRAEGFR
SCHEMBL622678 0.80 PDGFRB (0.48) PDGFRBPDGFRAALDH1A1RAB9AKMT2A
SCHEMBL31033500 0.79 ALDH1A1 (0.55) PDGFRBPDGFRAALDH1A1RAB9AKMT2A
SCHEMBL558148 0.79 ALDH1A1 (0.55) PDGFRBPDGFRAALDH1A1RAB9AKMT2A
SCHEMBL622376 0.76 ALDH1A1 (0.56) PDGFRBPDGFRAALDH1A1RAB9AKMT2A
SCHEMBL12565424 0.76 ALDH1A1 (0.52) ALDH1A1KDM4ELMNANQO2HPGD
SCHEMBL30908140 0.76 ALDH1A1 (0.52) ALDH1A1KDM4ELMNANQO2HPGD
SCHEMBL25322668 0.75 RAB9A (0.40) ALDH1A1RAB9ANPC1SMN1; SMN2F2

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.