SCHEMBL3403683

SCHEMBL3403683

COc1ccc([N+](=O)[O-])c(NCCCO)n1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 15/20 0.57
LMNA P02545 1/20 0.47
GSR P00390 1/20 0.45
GSTM2 P28161 1/20 0.43
MAPT P10636 2/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
GFER P55789 1/20 0.42
PAX8 Q06710 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL9794246 0.92 TXNRD1 (0.53) TXNRD1LMNAGSRMAPTS1PR4
SCHEMBL2855541 0.87 KCNH2 (0.47) TXNRD1LMNAGSRMAPTNPSR1
SCHEMBL741498 0.87 TXNRD1 (0.48) TXNRD1LMNAGSRMAPTS1PR4
SCHEMBL9042043 0.87 TXNRD1 (0.57) TXNRD1LMNAGSRMAPTS1PR4
Hydrochloric Acid SCHEMBL10829567 0.86 CHRM2 (0.46) TXNRD1LMNAGSRMAPTNPSR1
SCHEMBL10654754 0.85 TXNRD1 (0.55) TXNRD1GSRMAPTS1PR4S1PR1
SCHEMBL9794390 0.84 TXNRD1 (0.50) TXNRD1GSRMAPTS1PR4S1PR1
SCHEMBL5832677 0.82 TXNRD1 (0.63) TXNRD1LMNAGSRGSTM2MAPT
SCHEMBL28489675 0.82 TXNRD1 (0.57) TXNRD1GSRMAPTS1PR4S1PR1
SCHEMBL2860282 0.82 NPSR1 (0.49) TXNRD1GSRMAPTS1PR4S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254887-B9 OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-05-29 EP disclosed
US-8349826-B2 Oxazolidinone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2013-01-08 US disclosed
EP-2254887-B1 OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-12-19 EP disclosed
US-20100331308-A1 OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-30 US disclosed
EP-2254887-A1 OXAZOLIDINONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-12-01 EP disclosed
WO-2009104159-A1 OXAZOLIDINONE DERIVATIVES 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 (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-20100331308-A1 OXAZOLIDINONE DERIVATIVES OXA1L, UQCRB, O60361 TXNRD1 2529/4885LMNA 1813/4885GSR 1120/4885

“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.