SCHEMBL620128

SCHEMBL620128

COc1ccc2ncc(SC(CN3CCOCC3)CN3CCC(NC(=O)c4ccc5c(c4)NC(=O)CS5)CC3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 7/20 0.42
SLC2A1 P11166 3/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
DRD4 P21917 1/20 0.38
MCHR1 Q99705 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
SCHEMBL621601 0.82 HPGD (0.45) HPGDSSLC2A1HPGDKMT2AMEN1
SCHEMBL620418 0.81 SLC2A1 (0.43) HPGDSSLC2A1HPGDKMT2AMEN1
SCHEMBL620405 0.81 HPGD (0.47) HPGDSHPGDKMT2AMEN1NPC1
SCHEMBL621771 0.80 HPGD (0.43) HPGDSSLC2A1HPGDKMT2AMEN1
SCHEMBL619404 0.79 HPGD (0.47) HPGDSHPGDKMT2AMEN1NPC1
SCHEMBL620152 0.78 HPGD (0.46) HPGDSHPGDKMT2AMEN1NPC1
SCHEMBL622117 0.77 HPGD (0.48) HPGDSHPGDKMT2AMEN1NPC1
SCHEMBL620118 0.77 KMT2A (0.41) HPGDSHPGDKMT2AMEN1NPC1
SCHEMBL622660 0.77 HPGD (0.47) HPGDSHPGDKMT2AMEN1NPC1
SCHEMBL620682 0.76 HPGD (0.48) HPGDSHPGDKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 HPGDS 3655/4885SLC2A1 3075/4885HPGD 3555/4885

“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.