SCHEMBL5558741

SCHEMBL5558741

N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
NLN Q9BYT8 1/20 0.51
HDAC8 Q9BY41 1/20 0.49
DPP4 P27487 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
MC4R P32245 2/20 0.48
MC5R P33032 2/20 0.48
MC3R P41968 2/20 0.48
OPRD1 P41143 1/20 0.47

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
SCHEMBL7857952 0.92 HDAC8 (0.57) NLNHDAC8DPP4OPRD1
SCHEMBL7857956 0.92 HDAC8 (0.57) NLNHDAC8DPP4OPRD1
SCHEMBL5556817 0.86 NLN (0.62) NLNDPP4MC4RMC5RMC3R
SCHEMBL14861105 0.86 CA12 (0.61) CA12CA1CA2HDAC8
SCHEMBL6961215 0.86 CA12 (0.61) CA12CA1CA2HDAC8
SCHEMBL13073331 0.86 CA12 (0.61) CA12CA1CA2HDAC8
SCHEMBL1769595 0.86 NLN (0.50) NLNDPP4OPRD1
SCHEMBL1769590 0.86 NLN (0.50) NLNDPP4OPRD1
SCHEMBL5125551 0.86 NLN (0.50) NLNDPP4MC4RMC5RMC3R
SCHEMBL12520303 0.86 NLN (0.50) NLNDPP4OPRD1

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-20070197577-A1 Inhibitors of anthrax lethal factor CENGENT THERAPEUTICS (US) 2007-08-23 US disclosed
WO-2005027856-A2 INHIBITORS OF ANTHRAX LETHAL FACTOR CENGENT THERAPEUTICS (US) 2005-03-31 WO 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-20070197577-A1 Inhibitors of anthrax lethal factor APAF1, ANTXR2, LITAF CA12 2461/4885CA1 1823/4885CA2 1929/4885

“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.