SCHEMBL4890004

SCHEMBL4890004

Cc1cn(CC(=O)c2ccc(Br)cn2)cn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPL P05186 4/20 0.51
PLAA Q9Y263 2/20 0.51
ALPG P10696 2/20 0.50
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 2/20 0.38
RAB9A P51151 3/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 2/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 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
SCHEMBL4893983 0.77 KDM4E (0.44) ALPLPLAAALPGKDM4EALDH1A1
SCHEMBL4554609 0.76 CYP19A1 (0.50) PLAAALPGKDM4EALDH1A1
SCHEMBL4898019 0.73 KDM4E (0.46) KDM4EALDH1A1GAARAB9ANPC1
SCHEMBL4893582 0.72 ALPL (0.51) ALPLPLAAALPGKDM4EALDH1A1
SCHEMBL14280836 0.72 KDM4E (0.60) KDM4EALDH1A1GAARAB9ALMNA
SCHEMBL4969959 0.72 ALPL (0.65) ALPLPLAAALPGKDM4EGAA
SCHEMBL30998281 0.70 KDM4E (0.46) KDM4EALDH1A1LMNACYP1A2CYP2C19
SCHEMBL4832580 0.70 ALPL (0.54) ALPLPLAAALPGKDM4EALDH1A1
SCHEMBL1438181 0.70 ALDH1A1 (0.62) KDM4EALDH1A1RAB9ANPC1TSHR
SCHEMBL11997951 0.70 ALPL (0.54) ALPLPLAAALPGALDH1A1RAB9A

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 5 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
EP-1753754-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) 2007-02-21 EP disclosed
WO-2005116022-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) 2005-12-08 WO 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 ALPL 1454/4885PLAA 2693/4885ALPG 3966/4885

“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.