SCHEMBL4891109

SCHEMBL4891109

COCc1nccn1CC(=O)c1ccc(Br)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
FPR2 P25090 2/20 0.40
ALPG P10696 3/20 0.39
PLAA Q9Y263 2/20 0.39
ALPL P05186 2/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90B1 P14625 1/20 0.38
MCHR1 Q99705 5/20 0.36
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
TSHR P16473 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34

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
SCHEMBL4892376 0.86 ALPG (0.53) KDM4EALDH1A1FPR2ALPGPLAA
SCHEMBL4888558 0.85 ALPG (0.43) KDM4EALDH1A1FPR2ALPGPLAA
SCHEMBL4893582 0.81 ALPL (0.51) KDM4EALDH1A1FPR2ALPGPLAA
SCHEMBL4891784 0.78 SMN1; SMN2 (0.46) KDM4EALDH1A1FPR2TSHR
SCHEMBL27660858 0.75 FPR2 (0.38) FPR2HSP90AA1HSP90B1TSHR
SCHEMBL15429775 0.72 KDM4E (0.55) KDM4EALDH1A1TSHR
SCHEMBL27660859 0.71 FPR2 (0.32) ALDH1A1FPR2HSP90AA1HSP90B1TSHR
SCHEMBL30262455 0.70 KDM4E (0.51) KDM4EALDH1A1TSHR
SCHEMBL26814297 0.70 KDM4E (0.51) KDM4EALDH1A1TSHR
SCHEMBL4893983 0.69 KDM4E (0.44) KDM4EALDH1A1ALPGPLAAALPL

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-20080021012-A1 3-[4-{6-Substituted Alkanoyl Pyridin-3-Yl}-3-Phenyl]-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones As Antibacterial Agents ASTRAZENECA AB (SE) 2008-01-24 US disclosed
US-20080021012-A1 3-[4-{6-Substituted Alkanoyl Pyridin-3-Yl}-3-Phenyl]-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones As Antibacterial Agents ASTRAZENECA AB (SE) 2008-01-24 US disclosed
US-20080021012-A1 3-[4-{6-Substituted Alkanoyl Pyridin-3-Yl}-3-Phenyl]-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones As Antibacterial Agents ASTRAZENECA AB (SE) 2008-01-24 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-20080021012-A1 3-[4-{6-Substituted Alkanoyl Pyridin-3-Yl}-3-Phenyl]-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones As Antibacterial Agents MRPL21, ARG1, OXA1L KDM4E 2675/4885ALDH1A1 189/4885FPR2 590/4885

“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.