SCHEMBL755455

SCHEMBL755455

O=C1COC(c2ccccc2Br)N1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.45
THRB P10828 1/20 0.45
PDE5A O76074 2/20 0.41
EHMT2 Q96KQ7 1/20 0.40
BRD4 O60885 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
ELANE P08246 1/20 0.38
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
CTRC Q99895 1/20 0.38
CACNA1B Q00975 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
SCHEMBL752998 0.86 L3MBTL1 (0.47) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL752621 0.86 HCRTR1 (0.39) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL5813476 0.72 HPGD (0.50) ALDH1A1MAPTKDM4EPOLBHPGD
SCHEMBL751790 0.70 HCRTR2 (0.64) MAPTHCRTR1HCRTR2
SCHEMBL752226 0.70 HCRTR2 (0.53) MEN1KMT2AHCRTR1HCRTR2
SCHEMBL17314463 0.70 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTEHMT2
SCHEMBL15818175 0.70 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTEHMT2
SCHEMBL15818177 0.70 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTEHMT2
SCHEMBL15818176 0.70 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTEHMT2
SCHEMBL698306 0.70 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTEHMT2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430004-B1 NOVEL OXAZOLIDINONE DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-17 EP claimed
US-8329706-B2 Oxazolidinone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-12-11 US claimed
US-20120101111-A1 NOVEL OXAZOLIDINONE DERIVIATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2012-04-26 US claimed
CN-102414184-A Novel oxazolidinone derivatives and their use as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2012-04-11 CN claimed
EP-2430004-A2 NOVEL OXAZOLIDINONE DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-21 EP claimed
WO-2010131192-A2 NOVEL OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 WO claimed
EP-2430004-B1 NOVEL OXAZOLIDINONE DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-17 EP disclosed
US-8329706-B2 Oxazolidinone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-12-11 US disclosed
US-20120101111-A1 NOVEL OXAZOLIDINONE DERIVIATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2012-04-26 US disclosed
CN-102414184-A Novel oxazolidinone derivatives and their use as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2012-04-11 CN disclosed
EP-2430004-A2 NOVEL OXAZOLIDINONE DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-21 EP disclosed
WO-2010131192-A2 NOVEL OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 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-20120101111-A1 NOVEL OXAZOLIDINONE DERIVIATIVES HCRTR2, HCRTR1, NPY4R ALDH1A1 715/4885MEN1 949/4885KMT2A 1843/4885

“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.