SCHEMBL5185455

SCHEMBL5185455

COC(=O)C1c2ccccc2[C@@H]2CN1C(=O)N2O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
MMP2 P08253 2/20 0.34
POLB P06746 1/20 0.33
ANPEP P15144 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL5185450 1.00 TDP1 (0.34) TDP1SLC6A2SLC6A4SLC6A3MMP2
SCHEMBL5185460 1.00 TDP1 (0.34) TDP1SLC6A2SLC6A4SLC6A3MMP2
SCHEMBL5186977 0.82 ALDH1A1 (0.35) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL5186971 0.82 ALDH1A1 (0.35) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL5186974 0.82 ALDH1A1 (0.35) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL5186438 0.82 MMP2 (0.35) TDP1SLC6A2SLC6A4SLC6A3MMP2
SCHEMBL5186436 0.82 MMP2 (0.35) TDP1SLC6A2SLC6A4SLC6A3MMP2
SCHEMBL5186430 0.82 MMP2 (0.35) TDP1SLC6A2SLC6A4SLC6A3MMP2
SCHEMBL5186384 0.81 CYP2C19 (0.35) MEN1KMT2AALDH1A1GAA
SCHEMBL5186377 0.81 CYP2C19 (0.35) MEN1KMT2AALDH1A1GAA

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-7288549-B2 Heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents AVENTIS PHARMA S.A. (FR) 2007-10-30 US disclosed
US-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents ENTASIS THERAPEUTICS LIMITED (GB) 2005-11-03 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-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents FDPS, MRPL21, DHPS TDP1 3758/4885SLC6A2 2495/4885SLC6A4 4171/4885

“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.