SCHEMBL4697170

SCHEMBL4697170

N#C[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
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 5/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
PDE7A Q13946 1/20 0.36
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4A O75164 1/20 0.35
TDP2 O95551 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
CRBN Q96SW2 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 0.79 GAA (0.46) MAPTPKMMEN1KMT2ASMN1; SMN2
SCHEMBL4697724 0.78 MAPT (0.43) MAPTPKMMEN1KMT2ASMN1; SMN2
SCHEMBL5346805 0.78 MAPT (0.48) MAPTPKMMEN1KMT2ASMN1; SMN2
SCHEMBL6763215 0.78 MAPT (0.48) MAPTPKMMEN1KMT2ASMN1; SMN2
SCHEMBL19917852 0.73 MAPT (0.54) MAPTPKMMEN1KMT2ASMN1; SMN2
SCHEMBL24326472 0.70 MAPT (0.58) MAPTPKMMEN1KMT2ASMN1; SMN2
SCHEMBL11671161 0.70 CRBN (0.42) MAPTPKMMEN1KMT2ASMN1; SMN2
SCHEMBL9737225 0.68 MAPT (0.49) MAPTPKMMEN1KMT2ASMN1; SMN2
SCHEMBL18814405 0.68 MAPT (0.45) MAPTPKMMEN1KMT2ASMN1; SMN2
SCHEMBL5350233 0.66 MAPT (0.49) MAPTPKMMEN1KMT2ASMN1; 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 3612/4885MEN1 729/4885
US-20050096357-A1 Novel pleuromutilin derivatives FABP2, PLEC, MLNR MAPT 3786/4885PKM 3409/4885MEN1 1031/4885

“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.