SCHEMBL916539

SCHEMBL916539

NCc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3cccc(F)c3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 4/20 0.41
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
SLC2A1 P11166 1/20 0.41
PDE7A Q13946 2/20 0.39
SLC29A1 Q99808 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
POLB P06746 1/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
THRB P10828 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL916624 0.92 PDE7A (0.40) MAPK1ALDH1A1LMNASMN1; SMN2SLC2A1
SCHEMBL915772 0.91 KMT2A (0.45) MAPK1ALDH1A1LMNASMN1; SMN2PDE7A
SCHEMBL915352 0.90 PDE7A (0.43) ALDH1A1LMNASMN1; SMN2PDE7AMEN1
SCHEMBL916549 0.89 RECQL (0.48) ALDH1A1LMNASMN1; SMN2TDP1PDE7A
SCHEMBL917614 0.85 SMN1; SMN2 (0.39) ALDH1A1LMNASMN1; SMN2PDE7AMEN1
SCHEMBL916541 0.85 MAPK1 (0.42) MAPK1ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL916281 0.85 PDE7A (0.39) MAPK1ALDH1A1LMNASMN1; SMN2SLC2A1
SCHEMBL916099 0.83 PDE7A (0.37) MAPK1ALDH1A1LMNASMN1; SMN2SLC2A1
SCHEMBL916492 0.83 PDE7A (0.39) ALDH1A1LMNASMN1; SMN2TDP1PDE7A
SCHEMBL708824 0.81 PDE7A (0.43) ALDH1A1LMNASMN1; SMN2PDE7AMEN1

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 4 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
US-7812036-B2 Androgens N.V. ORGANON (NL) 2010-10-12 US disclosed
EP-1742912-B1 NOVEL ANDROGENS ORGANON NV (NL) 2010-08-25 EP disclosed
US-20070225352-A1 Novel Androgens PHARMACOPELA DRUG DISCOVERY, INC. (US) 2007-09-27 US 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-20070225352-A1 Novel Androgens NR5A1, AR, SHBG MAPK1 2237/4885ALDH1A1 420/4885LMNA 3044/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 MAPK1 3221/4885ALDH1A1 2340/4885LMNA 2915/4885

“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.