SCHEMBL1282270

SCHEMBL1282270

CCOC(=O)C1(C#N)CCN(c2ncc(-c3cc(-c4ccccn4)c4sc(N(CC)C(N)=O)nc4c3)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RET P07949 6/20 0.31
AOC3 Q16853 3/20 0.31
LMNA P02545 2/20 0.31
KDM6B O15054 1/20 0.31
KDM6A O15550 1/20 0.31
KDM4A O75164 1/20 0.31
KDM4B O94953 1/20 0.31
KDM5C P41229 1/20 0.31
KDM3B Q7LBC6 1/20 0.31
TET1 Q8NFU7 1/20 0.31
KDM2B Q8NHM5 1/20 0.31

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
SCHEMBL1283624 0.88 ALDH1A1 (0.40) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL1282229 0.86 PTPN11 (0.34) KDM4EUSP2ALDH1A1MAPTHPGD
SCHEMBL1282205 0.85 PTPN11 (0.33) ALDH1A1AOC3
SCHEMBL1282983 0.85 PTPN11 (0.32) ALDH1A1AOC3
SCHEMBL1282896 0.84 KDM4E (0.32) KDM4EUSP2ALDH1A1MAPTHPGD
SCHEMBL1282937 0.84 PTPN11 (0.32) AOC3
SCHEMBL1283461 0.84 MLYCD (0.34) AOC3
SCHEMBL1283728 0.84 PTPN11 (0.31) AOC3
SCHEMBL1282523 0.84 MLYCD (0.36) ALDH1A1AOC3
SCHEMBL1282272 0.83 ABL1 (0.38) NPC1RAB9A

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 claimed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US claimed

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 KDM4E 3529/4885USP2 3852/4885ALDH1A1 2614/4885

“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.