SCHEMBL4697192

SCHEMBL4697192

O=C(O)[C@@H]1C[C@@H](O)CN1Sc1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
MAPT P10636 6/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
LDHA P00338 1/20 0.37
LDHB P07195 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PDE7A Q13946 1/20 0.37
KDM4A O75164 1/20 0.36
TDP2 O95551 1/20 0.36
KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL4697724 0.89 MAPT (0.43) GAAMAPTNPSR1PKMMEN1
SCHEMBL2905551 0.80 SMN1; SMN2 (0.51) GAAMAPTNPSR1PKMMEN1
SCHEMBL11336172 0.80 SMN1; SMN2 (0.51) GAAMAPTNPSR1PKMMEN1
SCHEMBL4697170 0.79 MAPT (0.43) GAAMAPTNPSR1PKMMEN1
SCHEMBL18814405 0.76 MAPT (0.45) GAAMAPTNPSR1PKMMEN1
SCHEMBL7982062 0.75 GAA (0.58) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL19917852 0.74 MAPT (0.54) GAAMAPTNPSR1PKMMEN1
SCHEMBL2899744 0.72 ALDH1A1 (0.47) GAAMAPTNPSR1PKMMEN1
SCHEMBL2899745 0.72 ALDH1A1 (0.47) GAAMAPTNPSR1PKMMEN1
SCHEMBL5350233 0.72 MAPT (0.49) GAAMAPTNPSR1PKMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1889845-A1 NOVEL PLEUROMUTILIN DERIVATIVES SmithKline Beecham P.L.C. (GB) 2008-02-20 EP disclosed
EP-1538150-B1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2007-06-27 EP disclosed
US-7160907-B2 Pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2007-01-09 US disclosed
EP-1538150-A1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2005-06-08 EP disclosed
EP-1351959-B1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2005-06-01 EP disclosed
US-6900345-B2 Pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2005-05-31 US disclosed
US-20050096357-A1 Novel pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. 2005-05-05 US disclosed
US-20040024059-A1 Novel pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 US disclosed
EP-1351959-A1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2003-10-15 EP disclosed
WO-2002030929-A1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-18 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 (2 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-20040024059-A1 Novel pleuromutilin derivatives PLEC, MLNR, FABP2 GAA 1204/4885MAPT 3391/4885NPSR1 1906/4885
US-20050096357-A1 Novel pleuromutilin derivatives FABP2, PLEC, MLNR GAA 1541/4885MAPT 3786/4885NPSR1 2471/4885

“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.