SCHEMBL5186308

SCHEMBL5186308

C=CCO/N=C1/CN(C(=O)C(F)(F)F)C(C(=O)OCC)c2cccc(OCc3ccccc3)c21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
AGTR2 P50052 1/20 0.35
TP53 P04637 2/20 0.34
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
DHFR P00374 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL5186281 1.00 KMT2A (0.37) KMT2AMEN1AGTR2TP53POLB
SCHEMBL4138695 0.94 MEN1 (0.37) KMT2AMEN1AGTR2TP53POLB
SCHEMBL4138694 0.94 MEN1 (0.37) KMT2AMEN1AGTR2TP53POLB
SCHEMBL5252503 0.90 MRGPRX4 (0.33) KMT2AMEN1AGTR2MRGPRX4ALDH1A1
SCHEMBL5187346 0.85 CA1 (0.38) HTTDHFRALDH1A1
SCHEMBL4135216 0.85 MEN1 (0.37) KMT2AMEN1AGTR2TP53POLB
SCHEMBL4135218 0.85 MEN1 (0.37) KMT2AMEN1AGTR2TP53POLB
SCHEMBL4696338 0.84 MEN1 (0.33) KMT2AMEN1
SCHEMBL4145058 0.82 MEN1 (0.35) KMT2AMEN1AGTR2TP53POLB
SCHEMBL4145056 0.82 MEN1 (0.35) KMT2AMEN1AGTR2TP53POLB

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 154/4885AGTR2 2114/4885

“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.