SCHEMBL1282834

SCHEMBL1282834

CCN(C(N)=O)c1nc2cc(-c3cnc(N4CCC(COC)(C(=O)O)CC4)nc3)cc(-c3ccccn3)c2s1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PTPN11 Q06124 1/20 0.30
PKM P14618 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
SCHEMBL1282559 0.92 PTPN11 (0.31) ALDH1A1PTPN11PKM
SCHEMBL1282896 0.90 KDM4E (0.32) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL1282607 0.90 MET (0.32)
SCHEMBL1282205 0.89 PTPN11 (0.33) ALDH1A1PTPN11PKM
SCHEMBL1282983 0.89 PTPN11 (0.32) ALDH1A1PTPN11PKM
SCHEMBL1282937 0.89 PTPN11 (0.32) PTPN11PKM
SCHEMBL1283461 0.88 MLYCD (0.34) PTPN11PKM
SCHEMBL1283728 0.88 PTPN11 (0.31) PTPN11PKM
SCHEMBL1282229 0.88 PTPN11 (0.34) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL1283632 0.88 PTPN11 (0.31) PTPN11PKM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US claimed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US claimed
US-20170007615-A1 Antibacterial Compounds SPERO GYRASE, INC. 2017-01-12 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 (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-20120088750-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NISCH, LSS KDM4E 3529/4885ALDH1A1 2614/4885HPGD 1895/4885
US-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA KDM4E 4020/4885ALDH1A1 4530/4885HPGD 2935/4885

“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.