SCHEMBL916097

SCHEMBL916097

CCCNc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.39
MAPT P10636 7/20 0.39
MEN1 O00255 5/20 0.39
LMNA P02545 5/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
ALPG P10696 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PDE7A Q13946 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH3A1 P30838 1/20 0.34
P2RX7 Q99572 2/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 3/20 0.32
HSP90AA1 P07900 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL916280 0.94 MAPT (0.39) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL917414 0.91 SLC6A2 (0.35) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL917610 0.90 LMNA (0.36) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL916625 0.90 SLC6A2 (0.39) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL916806 0.89 MAPT (0.35) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL918071 0.89 MAPT (0.35) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL915088 0.89 SLC6A2 (0.37) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL916726 0.88 KMT2A (0.36) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL917353 0.88 MAPT (0.35) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL916282 0.88 SLC6A4 (0.35) KMT2AMAPTMEN1LMNAALDH1A1

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 KMT2A 3473/4885MAPT 4558/4885MEN1 2248/4885

“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.