SCHEMBL5185381

SCHEMBL5185381

COC(=O)C1NCC(=O)c2ccoc21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
MAPKAPK2 P49137 1/20 0.30
ADORA2B P29275 1/20 0.30
ITGA4 P13612 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
SCHEMBL4138455 0.74 KMT2A (0.42) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL5187013 0.74 ALDH1A1 (0.37) KMT2AALDH1A1MAPTKDM4ECYP1A2
SCHEMBL5186929 0.69 BUB1 (0.32) KMT2AALDH1A1MAPTGAAHSD17B10
SCHEMBL9636697 0.64 GID4 (0.47) KMT2AMEN1ALDH1A1MAPTMAPKAPK2
SCHEMBL26998916 0.62 TSHR (0.44) ALDH1A1MAPTKDM4ECYP1A2GAA
SCHEMBL4143242 0.62 TSHR (0.44) ALDH1A1MAPTKDM4ECYP1A2GAA
SCHEMBL16148072 0.61 KDM4E (0.39) ALDH1A1MAPTKDM4ECYP1A2GAA
SCHEMBL16148819 0.61 MAPT (0.53) MAPTKDM4ECYP1A2CYP2C9ALOX15
SCHEMBL24184254 0.61 KDM4E (0.45) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL2049307 0.61 HSD17B10 (0.62) ALDH1A1MAPTKDM4EGAAHSD17B10

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 KMT2A 3643/4885MEN1 154/4885ALDH1A1 1565/4885

“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.