SCHEMBL4697724

SCHEMBL4697724

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
PDE7A Q13946 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL4697192 0.89 GAA (0.46) MAPTPKMALDH1A1KDM4EPDE7A
SCHEMBL5350233 0.81 MAPT (0.49) MAPTPKMALDH1A1KDM4EPDE7A
SCHEMBL4697170 0.78 MAPT (0.43) MAPTPKMALDH1A1KDM4EPDE7A
SCHEMBL19917852 0.76 MAPT (0.54) MAPTPKMALDH1A1KDM4EPDE7A
SCHEMBL18814405 0.75 MAPT (0.45) MAPTPKMALDH1A1KDM4EPDE7A
SCHEMBL11336172 0.73 SMN1; SMN2 (0.51) MAPTPKMALDH1A1KDM4ESMN1; SMN2
SCHEMBL2905551 0.73 SMN1; SMN2 (0.51) MAPTPKMALDH1A1KDM4ESMN1; SMN2
SCHEMBL24326472 0.70 MAPT (0.58) MAPTPKMALDH1A1KDM4EPDE7A
SCHEMBL11671161 0.70 CRBN (0.42) MAPTPKMALDH1A1KDM4EPDE7A
SCHEMBL2899744 0.67 ALDH1A1 (0.47) MAPTPKMALDH1A1KDM4ESMN1; SMN2

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 MAPT 3391/4885PKM 3612/4885ALDH1A1 1651/4885
US-20050096357-A1 Novel pleuromutilin derivatives FABP2, PLEC, MLNR MAPT 3786/4885PKM 3409/4885ALDH1A1 2307/4885

“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.