SCHEMBL4885602

SCHEMBL4885602

NCCCCC(NC(=O)NCc1ccccc1)C(=O)Nc1ccc(CNC(=O)C2CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 1/20 0.54
▸ CPB2 Q96IY4 3/20 0.51
▸ KDM1A O60341 1/20 0.51
▸ GRIN1 Q05586 1/20 0.49
▸ GRIN2A Q12879 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ KLKB1 P03952 2/20 0.48
▸ USP30 Q70CQ3 3/20 0.47
▸ PRSS1 P07477 1/20 0.45
▸ PRSS2 P07478 1/20 0.45
▸ PRSS3 P35030 1/20 0.45
▸ HDAC1 Q13547 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ F12 P00748 1/20 0.44

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
SCHEMBL4887070 0.93 PLG (0.55) PLGCPB2KDM1AGRIN1GRIN2A
SCHEMBL4879315 0.89 CPB2 (0.50) PLGCPB2KDM1AGRIN1GRIN2A
SCHEMBL4885609 0.89 CPB2 (0.51) PLGCPB2KDM1AHPGDKLKB1
SCHEMBL4884646 0.88 NTMT1 (0.51) PLGCPB2GRIN1GRIN2AKLKB1
SCHEMBL4886959 0.84 GRIN1 (0.53) PLGGRIN1GRIN2AKLKB1CTSB
SCHEMBL4885605 0.82 KDM1A (0.47) PLGCPB2KDM1A
SCHEMBL4888144 0.80 UTS2R (0.47) —
SCHEMBL4887082 0.80 PLG (0.50) PLGCPB2KLKB1HDAC1
SCHEMBL4879325 0.79 CPB2 (0.50) PLGCPB2KDM1AKLKB1
SCHEMBL4884654 0.76 NTMT1 (0.50) PLGCPB2

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 PLG 3666/4885CPB2 1198/4885KDM1A 2425/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH PLG 551/4885CPB2 1322/4885KDM1A 2543/4885

“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.

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