SCHEMBL2170234

SCHEMBL2170234

COc1ccc2ccc(OC[C@@H]3CCNC3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.54
SLC6A4 P31645 6/20 0.54
SLC6A3 Q01959 3/20 0.54
TDP1 Q9NUW8 1/20 0.49
KCNH2 Q12809 4/20 0.44
HTR3A P46098 2/20 0.44
PRKCZ Q05513 1/20 0.43
DYRK3 O43781 1/20 0.42
CLK1 P49759 1/20 0.42
CLK2 P49760 1/20 0.42
CLK3 P49761 1/20 0.42
DYRK1A Q13627 1/20 0.42
DYRK2 Q92630 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK4 Q9NR20 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
HPGDS O60760 2/20 0.41
EED O75530 1/20 0.40
KDM1A O60341 4/20 0.39
JAK2 O60674 1/20 0.39

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
SCHEMBL2245058 1.00 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3TDP1KCNH2
SCHEMBL2171531 0.93 TDP1 (0.58) SLC6A2SLC6A4SLC6A3TDP1KCNH2
SCHEMBL2230447 0.83 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3TDP1KCNH2
SCHEMBL2169923 0.75 PDGFRB (0.42) SLC6A4TDP1HPGDSKDM1A
SCHEMBL2229867 0.75 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3TDP1KCNH2
SCHEMBL27510271 0.72 EGFR (0.47) TDP1CLK1HPGDS
SCHEMBL1526884 0.72 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3TDP1KCNH2
SCHEMBL29354553 0.71 EGFR (0.46) TDP1CLK1HPGDS
SCHEMBL21603166 0.71 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3TDP1KCNH2
SCHEMBL2227826 0.71 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3TDP1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346862-B1 2-BENZOTHIOPHENYL-AND 2-NAPHTHYL-0XAZ0LIDIN0NES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-09-12 EP disclosed
US-20110195949-A1 2-BENZOTHIOPHENYL- AND 2-NAPHTHYL-OXAZOLIDINONES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-11 US disclosed
EP-2346862-A1 2-BENZOTHIOPHENYL-AND 2-NAPHTHYL-0XAZ0LIDIN0NES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2011-07-27 EP disclosed
WO-2010041219-A1 2-BENZOTHIOPHENYL-AND 2-NAPHTHYL-0XAZ0LIDIN0NES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS 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 (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-20110195949-A1 2-BENZOTHIOPHENYL- AND 2-NAPHTHYL-OXAZOLIDINONES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS UQCRB, XDH, TOP2B SLC6A2 4277/4885SLC6A4 4796/4885SLC6A3 4463/4885

“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.