SCHEMBL589813

SCHEMBL589813

O=C(Nc1ccc2c(c1)OCCO2)OCc1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.85
RAB9A P51151 9/20 0.85
SMN1; SMN2 Q16637 6/20 0.85
MAPT P10636 5/20 0.85
ALDH1A1 P00352 4/20 0.85
TP53 P04637 3/20 0.85
TSHR P16473 1/20 0.85
ATM Q13315 1/20 0.85
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
MEN1 O00255 2/20 0.59
LMNA P02545 2/20 0.59
KMT2A Q03164 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MGLL Q99685 1/20 0.58
ROCK2 O75116 1/20 0.57
GAA P10253 1/20 0.57
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56

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
SCHEMBL6333970 0.82 NPC1 (0.69) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL8116943 0.81 TSHR (0.61) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL6211660 0.81 ALDH1A1 (0.61) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL21935282 0.81 RAB9A (0.84) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL10305252 0.80 ROCK2 (0.67) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL30329933 0.80 RAB9A (0.57) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL4456132 0.80 MAPT (0.84) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL592825 0.78 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL5060744 0.78 NPC1 (0.54) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL592296 0.77 ALDH1A1 (0.63) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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 54 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-2146987-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-01-27 EP disclosed
EP-2144910-A2 OXAZOLIDINONE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2010-01-20 EP disclosed
WO-2009104147-A2 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 WO disclosed
WO-2009104159-A1 OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 WO disclosed
WO-2009077989-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO disclosed
US-20090105232-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2009-04-23 US disclosed
EP-2001478-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-12-17 EP disclosed
WO-2008126024-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 WO disclosed
WO-2008126034-A2 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 WO disclosed
WO-2007107965-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-09-27 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 (2 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-20160237088-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS H1-3, HRH3, HRH4 NPC1 1979/4885RAB9A 2830/4885SMN1; SMN2 4195/4885
US-20090105232-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES CBR3, RXFP4, ODC1 NPC1 3633/4885RAB9A 1339/4885SMN1; SMN2 4566/4885

“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.