SCHEMBL1283178

SCHEMBL1283178

CCOC(=O)C1(CC)CCN(c2ncc(-c3cc(-n4cccn4)n4cc(N(CC)C(N)=O)nc4c3)cn2)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
POLB P06746 2/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
RET P07949 1/20 0.32
F10 P00742 2/20 0.30
AOC3 Q16853 2/20 0.30
PIK3R1 P27986 1/20 0.30
PIK3CA P42336 1/20 0.30

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
SCHEMBL1282746 0.86 AOC3 (0.30) AOC3
SCHEMBL1283179 0.82
SCHEMBL1282558 0.81 KDM4E (0.34) MAPK1KDM4EMEN1KMT2APOLB
SCHEMBL1282720 0.74
SCHEMBL1283033 0.74 RET (0.32) MAPK1MEN1KMT2AOPRM1OPRD1
SCHEMBL1292880 0.73 GSK3B (0.34) RETPIK3R1PIK3CA
SCHEMBL1282612 0.72 OPRM1 (0.34) MAPK1KDM4EMEN1KMT2APOLB
SCHEMBL1282015 0.72 AOC3 (0.30) AOC3
SCHEMBL1282854 0.70 RET (0.33) MAPK1MEN1KMT2AALDH1A1RET
SCHEMBL1282608 0.69 PIK3R1 (0.32) MAPK1MEN1KMT2AALDH1A1AOC3

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-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 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-20120088750-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NISCH, LSS MAPK1 3226/4885KDM4E 3529/4885MEN1 3233/4885

“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.