SCHEMBL916289

SCHEMBL916289

COC(=O)CNc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 2/20 0.34
MAPT P10636 6/20 0.34
ALDH1A1 P00352 5/20 0.34
KMT2A Q03164 4/20 0.34
LMNA P02545 4/20 0.34
GAA P10253 3/20 0.34
MEN1 O00255 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALPG P10696 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLC2A1 P11166 1/20 0.33
P2RX7 Q99572 2/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL915088 0.92 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3SMN1; SMN2MAPK1
SCHEMBL916282 0.89 SLC6A4 (0.35) SLC6A2SLC6A4SLC6A3SMN1; SMN2MAPK1
SCHEMBL917610 0.88 LMNA (0.36) SLC6A2SLC6A4SLC6A3SMN1; SMN2MAPK1
SCHEMBL916280 0.88 MAPT (0.39) SLC6A2SLC6A4SLC6A3SMN1; SMN2MAPK1
SCHEMBL916097 0.87 KMT2A (0.39) SLC6A2SLC6A4SLC6A3SMN1; SMN2MAPK1
SCHEMBL917414 0.87 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3SMN1; SMN2MAPK1
SCHEMBL710045 0.86 PDE7A (0.41) SLC6A2SLC6A4SLC6A3SMN1; SMN2MAPK1
SCHEMBL916625 0.86 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3SMN1; SMN2MAPK1
SCHEMBL918071 0.85 MAPT (0.35) SLC6A2SLC6A4SLC6A3SMN1; SMN2MAPK1
SCHEMBL916806 0.85 MAPT (0.35) SLC6A2SLC6A4SLC6A3SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009428-A1 NOVEL ANDROGENS N.V. ORGANON (NL) 2011-01-13 US disclosed
EP-1742912-B1 NOVEL ANDROGENS ORGANON NV (NL) 2010-08-25 EP 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-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 SLC6A2 1378/4885SLC6A4 582/4885SLC6A3 734/4885

“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.