SCHEMBL622012

SCHEMBL622012

CS(=O)(=O)Oc1ccc2ncc(OCCN3CCC(NC(=O)c4ccc5c(c4)NC(=O)CS5)CC3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 2/20 0.41
DRD2 P14416 7/20 0.40
DRD3 P35462 7/20 0.40
MAPT P10636 1/20 0.40
HPGDS O60760 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL620405 0.92 HPGD (0.47) HPGDNPC1RAB9AKMT2AHPGDS
SCHEMBL619652 0.92 HPGD (0.44) HPGDNPC1RAB9AKMT2AMAPT
SCHEMBL622667 0.92 HPGD (0.44) HPGDNPC1RAB9AKMT2ADRD2
SCHEMBL622735 0.90 HPGD (0.44) HPGDNPC1RAB9AKMT2AMAPT
SCHEMBL622728 0.90 HPGD (0.42) HPGDNPC1RAB9AKMT2AMAPT
SCHEMBL619993 0.89 HPGD (0.45) HPGDNPC1RAB9AKMT2AMAPT
SCHEMBL619404 0.88 HPGD (0.47) HPGDNPC1RAB9AKMT2AMAPT
SCHEMBL622668 0.88 HPGD (0.44) HPGDNPC1RAB9AKMT2AMAPT
SCHEMBL622117 0.87 HPGD (0.48) HPGDNPC1RAB9AKMT2AMAPT
SCHEMBL621348 0.86 EIF4H (0.43) HPGDNPC1RAB9AKMT2AMAPT

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 HPGD 3555/4885NPC1 832/4885RAB9A 3837/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH HPGD 4450/4885NPC1 745/4885RAB9A 2337/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH HPGD 4450/4885NPC1 745/4885RAB9A 2337/4885

“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.