SCHEMBL1712016

SCHEMBL1712016

COc1ccc2cccc(C(COS(C)(=O)=O)NC(=O)OC(C)(C)C)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.44
MTNR1B P49286 10/20 0.44
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
PKM P14618 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
AGTR1 P30556 1/20 0.36
RAB9A P51151 1/20 0.36
NQO2 P16083 1/20 0.36
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
XBP1 P17861 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1711963 0.86 MTNR1A (0.46) MTNR1AMTNR1BALDH1A1MAPTNQO2
SCHEMBL1712314 0.86 MTNR1A (0.46) MTNR1AMTNR1BALDH1A1MAPTNQO2
SCHEMBL2295730 0.84 MTNR1A (0.42) MTNR1AMTNR1BALDH1A1LMNAPKM
SCHEMBL1738731 0.81 CACNA1B (0.42) ALDH1A1LMNAPKMHPGDTSHR
SCHEMBL15707656 0.76 MTNR1A (0.42) MTNR1AMTNR1BALDH1A1MAPTNQO2
SCHEMBL15707689 0.76 MTNR1A (0.42) MTNR1AMTNR1BALDH1A1MAPTNQO2
SCHEMBL1712316 0.76 MTNR1A (0.48) MTNR1AMTNR1BNQO2
SCHEMBL13977170 0.75 HPGD (0.41) ALDH1A1LMNAPKMHPGDTSHR
SCHEMBL29356822 0.75 HPGD (0.41) ALDH1A1LMNAPKMHPGDTSHR
SCHEMBL19208137 0.75 HPGD (0.41) ALDH1A1LMNAPKMHPGDTSHR

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 9 patents. 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
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-2344495-B1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2014-12-31 EP disclosed
US-20140142093-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2014-05-22 US disclosed
US-8618092-B2 Tricyclic oxazolidinone antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-31 US disclosed
US-20110195961-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-11 US disclosed
EP-2344495-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2011-07-20 EP disclosed
WO-2010041194-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-15 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 (3 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-20110195961-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS HRH3, OXA1L, HRH1 MTNR1A 987/4885MTNR1B 670/4885ALDH1A1 3208/4885
US-20160237088-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS H1-3, HRH3, HRH4 MTNR1A 1089/4885MTNR1B 860/4885ALDH1A1 3572/4885
US-20140142093-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS OXA1L, H1-3, NGLY1 MTNR1A 1119/4885MTNR1B 897/4885ALDH1A1 3751/4885

“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.