Sugi Predict

Sugi Predict / Compounds / SCHEMBL4887817

SCHEMBL4887817

SCHEMBL4887817

O=C(c1ccc(Br)cn1)C1CN(C(=O)O)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ AKR1C3 P42330 1/20 0.35
▸ POLB P06746 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ EIF4A3 P38919 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TACR2 P21452 1/20 0.35
▸ TACR1 P25103 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ TSHR P16473 3/20 0.33
▸ HMOX1 P09601 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL17820012 0.82 PDE10A (0.45) ALDH1A1KDM4EPOLBKMT2ATDP1
SCHEMBL14280850 0.80 USP30 (0.43) ALDH1A1KDM4EKMT2ASMN1; SMN2MAPT
SCHEMBL13737314 0.78 KDM4E (0.56) ALDH1A1KDM4EAKR1C3POLBKMT2A
SCHEMBL13736733 0.78 KDM4E (0.56) ALDH1A1KDM4EAKR1C3POLBKMT2A
SCHEMBL15990725 0.78 KDM4E (0.56) ALDH1A1KDM4EAKR1C3POLBKMT2A
SCHEMBL4228455 0.76 MGLL (0.50) ALDH1A1L3MBTL1
SCHEMBL391273 0.75 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBKMT2ASMN1; SMN2
SCHEMBL20788470 0.75 ALDH1A1 (0.56) ALDH1A1KDM4EAKR1C3POLBTDP1
SCHEMBL17729535 0.75 ALDH1A1 (0.43) ALDH1A1KDM4EAKR1C3POLBSMN1; SMN2
SCHEMBL23210783 0.74 ALDH1A1 (0.42) ALDH1A1KDM4EAKR1C3POLBKMT2A

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 4 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
CN-1989137-A 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) 2007-06-27 — — CN 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 ALDH1A1 189/4885KDM4E 2675/4885AKR1C3 487/4885

“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.