SCHEMBL2170561

SCHEMBL2170561

O=C1CSc2ccc(N3CC(CCCNCc4cnc5ccccc5c4)OC3=O)cc2N1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
GRM2 Q14416 13/20 0.35
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33

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
SCHEMBL2169470 0.90 KCNH2 (0.35) KCNH2GRM2
SCHEMBL2184935 0.88 GRM2 (0.37) GRM2
SCHEMBL2170046 0.86 GRM2 (0.36) KCNH2GRM2
SCHEMBL2169851 0.86 ROCK2 (0.34) KCNH2GRM2
SCHEMBL590011 0.85 GRM2 (0.36) KCNH2GRM2
SCHEMBL590010 0.85 GRM2 (0.36) KCNH2GRM2
SCHEMBL590824 0.85 GRM2 (0.36) KCNH2GRM2
SCHEMBL592200 0.84 GRM2 (0.38) GRM2
SCHEMBL591668 0.84 GRM2 (0.38) GRM2
SCHEMBL591977 0.84 GRM2 (0.38) GRM2

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 8 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 claimed
US-20110195949-A1 2-BENZOTHIOPHENYL- AND 2-NAPHTHYL-OXAZOLIDINONES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-11 US claimed
EP-2346862-A1 2-BENZOTHIOPHENYL-AND 2-NAPHTHYL-0XAZ0LIDIN0NES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2011-07-27 EP claimed
WO-2010041219-A1 2-BENZOTHIOPHENYL-AND 2-NAPHTHYL-0XAZ0LIDIN0NES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-15 WO claimed
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 KCNH2 1214/4885GRM2 4123/4885HDAC3 2013/4885

“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.