SCHEMBL592256

SCHEMBL592256

COc1ccc2nccc(OCC=CC[C@@H](O)CNc3ccc4c(c3)OCCO4)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
HTT P42858 1/20 0.44
CLK1 P49759 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
ROCK2 O75116 1/20 0.40
PDE5A O76074 1/20 0.40
MEN1 O00255 2/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MET P08581 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL592253 1.00 KCNH2 (0.45) KCNH2ALDH1A1MAPTHTTCLK1
SCHEMBL592255 1.00 KCNH2 (0.45) KCNH2ALDH1A1MAPTHTTCLK1
SCHEMBL591941 0.78 KDM4E (0.47) ALDH1A1NPSR1LMNAROCK2MEN1
SCHEMBL591943 0.78 KDM4E (0.47) ALDH1A1NPSR1LMNAROCK2MEN1
SCHEMBL591942 0.78 KDM4E (0.47) ALDH1A1NPSR1LMNAROCK2MEN1
SCHEMBL1223930 0.71 MTNR1B (0.48) KCNH2ALDH1A1MAPTHTTCLK1
SCHEMBL591614 0.71 SIGMAR1 (0.46) KCNH2ALDH1A1MAPTHTTCLK1
SCHEMBL591615 0.71 SIGMAR1 (0.46) KCNH2ALDH1A1MAPTHTTCLK1
SCHEMBL591612 0.71 SIGMAR1 (0.46) KCNH2ALDH1A1MAPTHTTCLK1
SCHEMBL1147533 0.71 KCNH2 (0.60) KCNH2ALDH1A1MAPTHTTCLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146987-B1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-12-02 EP disclosed
US-8114867-B2 Oxazolidinone antibiotic derivatives ACTELION PHARMACEUTICALS LTD (CH) 2012-02-14 US disclosed
US-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-03 US disclosed
EP-2146987-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-01-27 EP disclosed
WO-2008126024-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES 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-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES OXA1L, XDH, CCNY KCNH2 2218/4885ALDH1A1 1130/4885MAPT 4734/4885

“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.