Sugi Predict

Sugi Predict / Compounds / SCHEMBL592012

SCHEMBL592012

SCHEMBL592012

O=C1COc2ccc(N3CC(CO)OC3=O)cc2N1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ MAOA P21397 1/20 0.52
▸ MAOB P27338 1/20 0.52
▸ CALML3 P27482 5/20 0.48
▸ NR3C2 P08235 3/20 0.46
▸ DRD4 P21917 4/20 0.45
▸ DRD2 P14416 3/20 0.45
▸ DRD3 P35462 3/20 0.45
▸ PARP1 P09874 1/20 0.45
▸ MMP12 P39900 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL592011 1.00 ALDH1A1 (0.52) ALDH1A1KMT2ASMN1; SMN2NPSR1MAOA
SCHEMBL1711906 0.91 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2NPSR1MAOA
SCHEMBL1711902 0.91 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2NPSR1MAOA
SCHEMBL1712073 0.91 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2NPSR1MAOA
SCHEMBL591143 0.88 ALDH1A1 (0.52) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL590197 0.88 ALDH1A1 (0.52) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL1845035 0.87 ALDH1A1 (0.51) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL1845036 0.87 ALDH1A1 (0.51) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL591583 0.86 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL16179910 0.86 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822114-B2 Tricyclic oxazolidinone antibiotic compounds IDORSIA PHARMACEUTICALS LTD (CH) 2017-11-21 — — US disclosed
EP-2344485-B1 OXAZOLIDINYL ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2017-03-22 — — EP disclosed
EP-2915813-B1 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2017-02-01 — — EP disclosed
EP-2905283-B1 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2016-12-14 — — EP disclosed
US-9505750-B2 5-aminocyclylmethyl-oxazolidin-2-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-29 — — US disclosed
US-20160237088-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2016-08-18 — — US disclosed
US-9346804-B2 Tricyclic oxazolidinone antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2016-05-24 — — US disclosed
EP-2146987-B1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-12-02 — — EP disclosed
EP-2144910-B1 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2015-10-28 — — EP disclosed
EP-2915813-A1 Oxazolidinone antibiotics Actelion Pharmaceuticals Ltd. (CH) 2015-09-09 — — EP disclosed
EP-2344485-A2 OXAZOLIDINYL ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2011-07-20 — — EP disclosed
US-20110136795-A1 TRICYCLIC ALKYLAMINOMETHYLOXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD. 2011-06-09 — — US disclosed
US-20110039823-A1 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2011-02-17 — — US disclosed
US-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2011-01-06 — — US disclosed
US-20100331308-A1 OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-30 — — US disclosed
US-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-30 — — US disclosed
EP-2257551-A2 AZATRICYCLIC ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-12-08 — — EP disclosed
US-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-03 — — US disclosed
WO-2010041218-A2 OXAZOLIDINYL ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-15 — — WO disclosed
WO-2009104147-A2 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 — — 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 (7 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-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES OXA1L, XDH, CCNY ALDH1A1 1130/4885KMT2A 3898/4885SMN1; SMN2 2745/4885
US-20100331308-A1 OXAZOLIDINONE DERIVATIVES OXA1L, UQCRB, O60361 ALDH1A1 367/4885KMT2A 2637/4885SMN1; SMN2 2313/4885
US-20110039823-A1 OXAZOLIDINONE ANTIBIOTICS OXA1L, XDH, UBE2D3 ALDH1A1 1324/4885KMT2A 3162/4885SMN1; SMN2 3353/4885
US-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ZYX, AZI2, NAT1 ALDH1A1 1608/4885KMT2A 751/4885SMN1; SMN2 3425/4885
US-20110136795-A1 TRICYCLIC ALKYLAMINOMETHYLOXAZOLIDINONE DERIVATIVES PYM1, Q6ZSR9, O60361 ALDH1A1 1843/4885KMT2A 425/4885SMN1; SMN2 3448/4885
US-20160237088-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS H1-3, HRH3, HRH4 ALDH1A1 3572/4885KMT2A 2455/4885SMN1; SMN2 4195/4885
US-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES CNKSR1, KCNH1, CBR3 ALDH1A1 2633/4885KMT2A 1674/4885SMN1; SMN2 2326/4885

“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.