SCHEMBL2170526

SCHEMBL2170526

COc1cnc2cc(C=O)c(F)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.42
PDGFRB P09619 9/20 0.38
PDGFRA P16234 9/20 0.38
CSF1R P07333 1/20 0.34
PIK3CA P42336 1/20 0.34
ALDH1A1 P00352 4/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL4586080 0.75 ALDH1A1 (0.43) PDGFRBPDGFRACSF1RALDH1A1GAA
SCHEMBL17161149 0.74 ERN1 (0.51) ERN1ALDH1A1GAAKDM4ETSHR
SCHEMBL2599961 0.74 ERN1 (0.51) ERN1ALDH1A1GAAKDM4ETSHR
SCHEMBL2183570 0.73 CYP1A2 (0.40) ERN1ALDH1A1GAAKDM4ETSHR
SCHEMBL21816095 0.73 ERN1 (0.37) ERN1ALDH1A1KDM4EHTT
SCHEMBL13728317 0.72 PDGFRB (0.46) PDGFRBPDGFRACSF1RPIK3CAALDH1A1
SCHEMBL6390144 0.72 ALOX5AP (0.34) PDGFRBPDGFRAHTT
SCHEMBL2169114 0.72 ERN1 (0.41) ERN1PDGFRBPDGFRACSF1RPIK3CA
SCHEMBL21395512 0.71 F2RL3 (0.64)
SCHEMBL14437924 0.71 PDGFRB (0.63) PDGFRBPDGFRACSF1RALDH1A1GAA

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 ERN1 4067/4885PDGFRB 3763/4885PDGFRA 3915/4885

“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.