SCHEMBL4885609

SCHEMBL4885609

NCCCCC(NC(=O)NCc1ccccc1)C(=O)Nc1ccc(CNC2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 4/20 0.51
▸ KDM1A O60341 1/20 0.51
▸ PLG P00747 1/20 0.48
▸ EPHX1 P07099 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ F12 P00748 1/20 0.44
▸ SSTR3 P32745 1/20 0.43
▸ BDKRB2 P30411 3/20 0.43
▸ TACR1 P25103 1/20 0.42
▸ KLKB1 P03952 1/20 0.42

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
SCHEMBL4887082 0.91 PLG (0.50) CPB2PLGSSTR3BDKRB2TACR1
SCHEMBL4879325 0.89 CPB2 (0.50) CPB2KDM1APLGEPHX1SSTR3
SCHEMBL4885602 0.89 PLG (0.54) CPB2KDM1APLGHPGDF12
SCHEMBL4884654 0.87 NTMT1 (0.50) CPB2PLGEPHX1BDKRB2TACR1
SCHEMBL4886971 0.83 CHRNB2 (0.52) PLGBDKRB2TACR1
SCHEMBL4887070 0.82 PLG (0.55) CPB2KDM1APLGHPGDKLKB1
SCHEMBL4885605 0.82 KDM1A (0.47) CPB2KDM1APLGSSTR3
SCHEMBL4888158 0.79 BDKRB2 (0.51) BDKRB2
SCHEMBL4879315 0.79 CPB2 (0.50) CPB2KDM1APLGSSTR3KLKB1
SCHEMBL4884646 0.77 NTMT1 (0.51) CPB2PLGEPHX1TACR1KLKB1

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-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 — — US disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 — — 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 (2 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 CPB2 1198/4885KDM1A 2425/4885PLG 3666/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH CPB2 1322/4885KDM1A 2543/4885PLG 551/4885

“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.

Send feedback