SCHEMBL4880392

SCHEMBL4880392

COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCCN)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NMBR P28336 2/20 0.53
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
TLR2 O60603 2/20 0.50
HCRTR1 O43613 1/20 0.50
GHSR Q92847 1/20 0.49
SIRT5 Q9NXA8 1/20 0.47
IL1RN P18510 4/20 0.47
ERAP2 Q6P179 4/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46

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
SCHEMBL4880387 1.00 NMBR (0.53) NMBRKMT2AMEN1TLR2HCRTR1
SCHEMBL4880375 1.00 NMBR (0.53) NMBRKMT2AMEN1TLR2HCRTR1
SCHEMBL30449054 0.92 NMBR (0.55) NMBRTLR2GHSRSIRT5
SCHEMBL31405559 0.92 NMBR (0.55) NMBRTLR2GHSRSIRT5
SCHEMBL30448384 0.92 NMBR (0.55) NMBRTLR2GHSRSIRT5
SCHEMBL31405549 0.92 NMBR (0.55) NMBRTLR2GHSRSIRT5
SCHEMBL29372872 0.91 NMBR (0.55) NMBRTLR2GHSRSIRT5
SCHEMBL12513472 0.91 SIRT5 (0.53) NMBRGHSRSIRT5IL1RNERAP2
SCHEMBL30074815 0.89 KMT2A (0.58) NMBRKMT2AMEN1HCRTR1NPBWR1
SCHEMBL31405551 0.89 NMBR (0.52) NMBRGHSRSIRT5IL1RNERAP2

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 NMBR 2134/4885KMT2A 3406/4885MEN1 4687/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH NMBR 3131/4885KMT2A 1805/4885MEN1 3230/4885

“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.