SCHEMBL12410458

SCHEMBL12410458

CCNC(=O)c1ccc(OC(=O)N/B=N/P)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MGLL Q99685 1/20 0.39
ALDH1A1 P00352 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
HTT P42858 1/20 0.37
PLK1 P53350 1/20 0.37
PKM P14618 1/20 0.37
MMP1 P03956 1/20 0.36

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
SCHEMBL12410591 0.84 PKM (0.41) NPC1KMT2ARAB9AL3MBTL1HPGD
SCHEMBL277445 0.78 PLK1 (0.51) NPC1KMT2ARAB9AL3MBTL1HPGD
SCHEMBL13339311 0.77 NPC1 (0.46) NPC1KMT2ARAB9AL3MBTL1HPGD
SCHEMBL15459742 0.75 NPC1 (0.54) NPC1KMT2ARAB9AL3MBTL1HPGD
SCHEMBL12410190 0.75 KMT2A (0.64) NPC1KMT2ARAB9AL3MBTL1HPGD
SCHEMBL11955602 0.74 NPC1 (0.41) NPC1KMT2ARAB9AL3MBTL1HPGD
SCHEMBL12410462 0.73 CYP4F2 (0.41) NPC1RAB9ASMN1; SMN2
SCHEMBL12410588 0.73 GAA (0.42) SMN1; SMN2ALDH1A1
SCHEMBL12421889 0.73 NPC1 (0.49) NPC1KMT2ARAB9AL3MBTL1HPGD
SCHEMBL13944298 0.72 PLK1 (0.60) KMT2AHPGDSMN1; SMN2MGLLHTT

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-8449872-B2 Polymer conjugates of nesiritide peptides NEKTAR THERAPEUTICS (US) 2013-05-28 US disclosed
US-20110165111-A1 POLYMER CONJUGATES OF NESIRITIDE PEPTIDES NEKTAR THERAPEUTICS (US) 2011-07-07 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 (1 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-20110165111-A1 POLYMER CONJUGATES OF NESIRITIDE PEPTIDES NGLY1, IAPP, NPSR1 NPC1 759/4885KMT2A 3922/4885RAB9A 3064/4885

“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.