SCHEMBL915774

SCHEMBL915774

CNc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3ccc(F)cc3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 5/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
HSP90AA1 P07900 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 2/20 0.41
GAA P10253 1/20 0.40
ALPG P10696 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SOS1 Q07889 1/20 0.38
MAPK1 P28482 1/20 0.38
SERPINE1 P05121 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37

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
SCHEMBL916625 0.92 SLC6A2 (0.39) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL915354 0.92 SLC6A2 (0.41) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL916541 0.91 MAPK1 (0.42) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL915440 0.89 MAPT (0.39) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL916552 0.87 RECQL (0.47) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL917615 0.86 SLC6A4 (0.39) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL917542 0.86 SLC6A2 (0.38) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL916219 0.86 ALDH1A1 (0.47) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL915796 0.85 MEN1 (0.44) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL915772 0.85 KMT2A (0.45) KMT2AALDH1A1MEN1LMNAMAPT

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 3473/4885ALDH1A1 2340/4885MEN1 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.