SCHEMBL1223261

SCHEMBL1223261

COc1ccc2nccc(N3CCC(NC(=O)OCc4ccccc4)CC3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
SMPD3 Q9NY59 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
KCNH2 Q12809 4/20 0.44
TSHR P16473 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
ACHE P22303 2/20 0.44
CYP8B1 Q9UNU6 1/20 0.43
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DPP4 P27487 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
EPHX1 P07099 1/20 0.41

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
SCHEMBL1224380 0.91 ALDH1A1 (0.42) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL5905772 0.85 CYP8B1 (0.49) KCNH2CYP8B1
SCHEMBL3944928 0.85 CYP8B1 (0.37) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL1224645 0.83 KCNH2 (0.44) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL17861337 0.83 CKS1B (0.48) CNR1CNR2KCNH2CYP8B1
SCHEMBL2543211 0.81 ALDH1A1 (0.52) ALDH1A1GAAKCNH2TSHRCA1
SCHEMBL2543208 0.81 ALDH1A1 (0.52) ALDH1A1GAAKCNH2TSHRCA1
SCHEMBL16986070 0.80 LMNA (0.44) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL16986071 0.80 LMNA (0.44) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL2541639 0.79 ALDH1A1 (0.45) ALDH1A1GAAKCNH2TSHRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2905283-B1 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2016-12-14 EP disclosed
EP-2915813-A1 Oxazolidinone antibiotics Actelion Pharmaceuticals Ltd. (CH) 2015-09-09 EP disclosed
EP-2905283-A1 Oxazolidinone antibiotics Actelion Pharmaceuticals Ltd. (CH) 2015-08-12 EP disclosed
US-8217029-B2 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2012-07-10 US disclosed
US-20110039823-A1 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2011-02-17 US disclosed
EP-2144910-A2 OXAZOLIDINONE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2010-01-20 EP disclosed
WO-2008126034-A2 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 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-20110039823-A1 OXAZOLIDINONE ANTIBIOTICS OXA1L, XDH, UBE2D3 ALDH1A1 1324/4885GAA 1263/4885CTSL 2072/4885

“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.