SCHEMBL541545

SCHEMBL541545

BOC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
LMNA P02545 3/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TOP2A P11388 2/20 0.49
TOP2B Q02880 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAPT P10636 1/20 0.47
PIK3CG P48736 5/20 0.45
PIK3CD O00329 3/20 0.45
PIK3R1 P27986 3/20 0.45
PIK3CA P42336 3/20 0.45
POLB P06746 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
HTT P42858 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
SCHEMBL17775560 0.89 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL8027968 0.89 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL30781559 0.89 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL5292911 0.87 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL22506727 0.86 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL2108243 0.86 ALDH1A1 (0.64) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL29475787 0.86 ADRB2 (0.53) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL7889777 0.86 ADRB2 (0.53) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL22497578 0.85 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL28459278 0.85 ALDH1A1 (0.62) ALDH1A1KDM4ELMNAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329908-B2 Dual action antibiotics MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2012-12-11 US disclosed
EP-2296651-B1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES FOR TREATING BACTERIAL INTESTINAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2012-07-18 EP disclosed
US-8124623-B2 5-hydroxymethyl-oxazolidin-2-one-derivatives and their uses as antibacterials ACTELION PHARMACEUTICALS LTD. (CH) 2012-02-28 US disclosed
EP-2086968-B1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-08 EP disclosed
CN-101381365-B Dual action antibiotics MORPHOCHEM AG KOMB CHEMIE 2011-07-06 CN disclosed
US-20110059946-A1 DUAL ACTION ANTIBIOTICS MORPHOCHEM AKTIENGESELLSCHAFT FUER KOMBINATORISCHE CHEMIE (DE) 2011-03-10 US disclosed
US-7820823-B2 Dual action antibiotics Morphochem Aktiengesellschaft Fur Kominatorische Chemi (DE) 2010-10-26 US disclosed
US-20090247578-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE-DERIVATIVES AND THEIR USES AS ANTIBACTERIALS ACTELION PHARMACEUTICALS LTD. (CH) 2009-10-01 US disclosed
EP-1432705-B1 DUAL ACTION ANTIBIOTICS MORPHOCHEM AG KOMB CHEMIE (DE) 2007-08-08 EP disclosed
CN-1630655-A Dual action antibiotics MORPHOCHEM AG FUER KOM (DE) 2005-06-22 CN disclosed
US-20050096343-A1 Dual action antibiotics MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2005-05-05 US 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 (3 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-20090247578-A1 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE-DERIVATIVES AND THEIR USES AS ANTIBACTERIALS OGFOD1, OXGR1, ODC1 ALDH1A1 1227/4885KDM4E 1365/4885LMNA 4824/4885
US-20050096343-A1 Dual action antibiotics SLC11A2, MRPL21, MAP2K5 ALDH1A1 2592/4885KDM4E 4461/4885LMNA 3271/4885
US-20110059946-A1 DUAL ACTION ANTIBIOTICS SLC11A2, MRPL21, MAP2K5 ALDH1A1 2994/4885KDM4E 4589/4885LMNA 3185/4885

“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.