SCHEMBL621912

SCHEMBL621912

COc1ccc2ncc(OCCN3CCC(NC(=O)c4ccc5c(c4)NC(=O)CS5)CC3)c(O)c2n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.49
HPGD P15428 1/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PLK1 P53350 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
BRD4 O60885 1/20 0.40
HTR7 P34969 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
SCHEMBL622673 0.92 KCNH2 (0.48) KCNH2HPGDKMT2AMEN1PLK1
SCHEMBL621668 0.86 HPGD (0.46) KCNH2HPGDKMT2AMEN1PLK1
SCHEMBL621985 0.86 HPGD (0.48) KCNH2HPGDKMT2AMEN1NPC1
SCHEMBL619404 0.85 HPGD (0.47) KCNH2HPGDKMT2AMEN1NPC1
SCHEMBL620405 0.83 HPGD (0.47) KCNH2HPGDKMT2AMEN1NPC1
SCHEMBL619993 0.82 HPGD (0.45) KCNH2HPGDKMT2AMEN1NPC1
SCHEMBL619788 0.80 KMT2A (0.44) KCNH2HPGDKMT2AMEN1PLK1
SCHEMBL619652 0.80 HPGD (0.44) KCNH2HPGDKMT2AMEN1PLK1
SCHEMBL622668 0.80 HPGD (0.44) KCNH2HPGDKMT2AMEN1NPC1
SCHEMBL622667 0.80 HPGD (0.44) HPGDKMT2AMEN1NPC1RAB9A

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 KCNH2 488/4885HPGD 3555/4885KMT2A 3611/4885

“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.