SCHEMBL621668

SCHEMBL621668

COc1cccc2ncc(OCCN3CCC(NC(=O)c4ccc5c(c4)NC(=O)CS5)CC3)nc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
KCNH2 Q12809 3/20 0.43
HTR7 P34969 3/20 0.43
HTR1A P08908 1/20 0.42
PLK1 P53350 1/20 0.42
MCHR1 Q99705 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
PTK2 Q05397 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL621912 0.86 KCNH2 (0.49) HPGDKMT2AMEN1KCNH2HTR7
SCHEMBL620405 0.86 HPGD (0.47) HPGDKMT2AMEN1KCNH2MCHR1
SCHEMBL622673 0.85 KCNH2 (0.48) HPGDKMT2AMEN1KCNH2HTR7
SCHEMBL619993 0.84 HPGD (0.45) HPGDKMT2AMEN1KCNH2HTR7
SCHEMBL619404 0.83 HPGD (0.47) HPGDKMT2AMEN1KCNH2MCHR1
SCHEMBL619652 0.83 HPGD (0.44) HPGDKMT2AMEN1KCNH2HTR7
SCHEMBL622667 0.83 HPGD (0.44) HPGDKMT2AMEN1HTR7HTR1A
SCHEMBL622668 0.83 HPGD (0.44) HPGDKMT2AMEN1KCNH2HTR7
SCHEMBL622735 0.82 HPGD (0.44) HPGDKMT2AMEN1KCNH2POLB
SCHEMBL621985 0.82 HPGD (0.48) HPGDKMT2AMEN1KCNH2MCHR1

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 HPGD 3555/4885KMT2A 3611/4885MEN1 907/4885

“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.