SCHEMBL1282229

SCHEMBL1282229

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.34
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL1282896 0.89 KDM4E (0.32) PTPN11KDM4EUSP2ALDH1A1MAPT
SCHEMBL1282205 0.88 PTPN11 (0.33) PTPN11ALDH1A1
SCHEMBL1282983 0.88 PTPN11 (0.32) PTPN11ALDH1A1
SCHEMBL1282412 0.88 RET (0.31)
SCHEMBL1282834 0.88 KDM4E (0.31) PTPN11KDM4EUSP2ALDH1A1MAPT
SCHEMBL1282937 0.87 PTPN11 (0.32) PTPN11
SCHEMBL1283728 0.86 PTPN11 (0.31) PTPN11
SCHEMBL1282523 0.86 MLYCD (0.36) PTPN11ALDH1A1
SCHEMBL1283461 0.86 MLYCD (0.34) PTPN11
SCHEMBL1283172 0.86

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 PTPN11 4067/4885KDM4E 3529/4885USP2 3852/4885
US-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA PTPN11 2315/4885KDM4E 4020/4885USP2 1756/4885

“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.