SCHEMBL621985

SCHEMBL621985

COc1ccc2ccc(OCCN3CCC(NC(=O)c4ccc5c(c4)NC(=O)CS5)CC3)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
KCNH2 Q12809 3/20 0.47
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MCHR1 Q99705 3/20 0.42
DRD4 P21917 2/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CCR3 P51677 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
SCHEMBL619404 0.87 HPGD (0.47) HPGDKCNH2KMT2AMEN1ALDH1A1
SCHEMBL620405 0.87 HPGD (0.47) HPGDKCNH2KMT2AMEN1ALDH1A1
SCHEMBL621912 0.86 KCNH2 (0.49) HPGDKCNH2KMT2AMEN1ALDH1A1
SCHEMBL622667 0.85 HPGD (0.44) HPGDKMT2AMEN1ALDH1A1LMNA
SCHEMBL622735 0.85 HPGD (0.44) HPGDKCNH2KMT2AMEN1ALDH1A1
SCHEMBL622673 0.85 KCNH2 (0.48) HPGDKCNH2KMT2AMEN1ALDH1A1
SCHEMBL619652 0.84 HPGD (0.44) HPGDKCNH2KMT2AMEN1ALDH1A1
SCHEMBL622012 0.83 HPGD (0.43) HPGDKCNH2KMT2AMEN1ALDH1A1
SCHEMBL621668 0.82 HPGD (0.46) HPGDKCNH2KMT2AMEN1MCHR1
SCHEMBL622728 0.82 HPGD (0.42) HPGDKCNH2KMT2AMEN1ALDH1A1

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 3555/4885KCNH2 488/4885KMT2A 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.