SCHEMBL4887082

SCHEMBL4887082

NCCCCC(NC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(CNC2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 1/20 0.50
▸ CPB2 Q96IY4 4/20 0.47
▸ HDAC1 Q13547 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.44
▸ TACR1 P25103 3/20 0.44
▸ KLKB1 P03952 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ BDKRB2 P30411 4/20 0.43
▸ SSTR3 P32745 1/20 0.41
▸ TLR2 O60603 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
SCHEMBL4885609 0.91 CPB2 (0.51) PLGCPB2TACR1KLKB1BDKRB2
SCHEMBL4887070 0.87 PLG (0.55) PLGCPB2HDAC1KLKB1
SCHEMBL4884654 0.87 NTMT1 (0.50) PLGCPB2TACR1MEN1KMT2A
SCHEMBL4879325 0.82 CPB2 (0.50) PLGCPB2TACR1KLKB1SSTR3
SCHEMBL4886971 0.81 CHRNB2 (0.52) PLGTACR1BDKRB2
SCHEMBL4885602 0.80 PLG (0.54) PLGCPB2HDAC1KLKB1
SCHEMBL4887077 0.79 PLG (0.45) PLGCPB2HDAC1KLKB1SSTR3
SCHEMBL4888158 0.78 BDKRB2 (0.51) KMT2ABDKRB2
SCHEMBL4884646 0.76 NTMT1 (0.51) PLGCPB2HDAC1TACR1KLKB1
SCHEMBL4885605 0.73 KDM1A (0.47) PLGCPB2SSTR3

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

“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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