SCHEMBL620152

SCHEMBL620152

COc1ccc2ncc(SCCN3CCC(NC(=O)c4ccc5c(c4)NC(=O)CS5)CC3)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
MCHR1 Q99705 3/20 0.44
ALPL P05186 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
HPGDS O60760 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
DRD4 P21917 2/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL619473 0.89 MCHR1 (0.40) HPGDMCHR1POLBHPGDSALDH1A1
SCHEMBL619715 0.88 MCHR1 (0.41) HPGDMCHR1POLBHPGDSALDH1A1
SCHEMBL620405 0.85 HPGD (0.47) HPGDMCHR1KMT2AMEN1HPGDS
SCHEMBL619920 0.84 KDM4E (0.39) HPGDMCHR1POLBHPGDSALDH1A1
SCHEMBL619788 0.84 KMT2A (0.44) HPGDMCHR1KMT2AMEN1POLB
SCHEMBL619404 0.82 HPGD (0.47) HPGDMCHR1KMT2AMEN1POLB
SCHEMBL620619 0.80 ALPL (0.48) HPGDALPLKMT2AMEN1HPGDS
SCHEMBL621985 0.80 HPGD (0.48) HPGDMCHR1KMT2AMEN1POLB
SCHEMBL621601 0.79 HPGD (0.45) HPGDMCHR1KMT2AMEN1HPGDS
SCHEMBL619652 0.79 HPGD (0.44) HPGDKMT2AMEN1POLBHPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HPGD 3555/4885MCHR1 533/4885ALPL 4669/4885

“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.