SCHEMBL4887070

SCHEMBL4887070

NCCCCC(NC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(CNC(=O)C2CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 1/20 0.55
▸ HDAC1 Q13547 4/20 0.49
▸ CPB2 Q96IY4 3/20 0.49
▸ KLKB1 P03952 2/20 0.49
▸ GRIN1 Q05586 1/20 0.46
▸ GRIN2A Q12879 1/20 0.46
▸ USP2 O75604 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ USP30 Q70CQ3 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ KDM1A O60341 1/20 0.43
▸ RORC P51449 1/20 0.43
▸ NPY1R P25929 1/20 0.43

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
SCHEMBL4885602 0.93 PLG (0.54) PLGHDAC1CPB2KLKB1GRIN1
SCHEMBL4884646 0.88 NTMT1 (0.51) PLGHDAC1CPB2KLKB1GRIN1
SCHEMBL4887082 0.87 PLG (0.50) PLGHDAC1CPB2KLKB1
SCHEMBL4879315 0.84 CPB2 (0.50) PLGCPB2KLKB1GRIN1GRIN2A
SCHEMBL4886959 0.82 GRIN1 (0.53) PLGKLKB1GRIN1GRIN2ACTSB
SCHEMBL4885609 0.82 CPB2 (0.51) PLGCPB2KLKB1HPGDKDM1A
SCHEMBL4888144 0.79 UTS2R (0.47) —
SCHEMBL4887077 0.78 PLG (0.45) PLGHDAC1CPB2KLKB1CTSB
SCHEMBL4884654 0.77 NTMT1 (0.50) PLGCPB2
SCHEMBL4885605 0.75 KDM1A (0.47) PLGCPB2KDM1ANPY1R

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 3666/4885HDAC1 1003/4885CPB2 1198/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH PLG 551/4885HDAC1 1454/4885CPB2 1322/4885

“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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