SCHEMBL916552

SCHEMBL916552

CNc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3cccc(Cl)c3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.47
PDE7A Q13946 6/20 0.42
ALDH1A1 P00352 6/20 0.38
LMNA P02545 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE7B Q9NP56 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MAPT P10636 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
SCHEMBL915354 0.92 SLC6A2 (0.41) RECQLPDE7AALDH1A1LMNAMEN1
SCHEMBL916219 0.90 ALDH1A1 (0.47) RECQLPDE7AALDH1A1LMNAMEN1
SCHEMBL916541 0.89 MAPK1 (0.42) PDE7AALDH1A1LMNAMEN1KMT2A
SCHEMBL915796 0.87 MEN1 (0.44) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL915774 0.87 KMT2A (0.42) PDE7AALDH1A1LMNAMEN1KMT2A
SCHEMBL915440 0.87 MAPT (0.39) RECQLPDE7AALDH1A1LMNAMEN1
SCHEMBL2914078 0.86 L3MBTL1 (0.37) PDE7AALDH1A1LMNAMEN1KMT2A
SCHEMBL916625 0.85 SLC6A2 (0.39) PDE7AALDH1A1LMNAMEN1KMT2A
SCHEMBL916549 0.85 RECQL (0.48) RECQLPDE7AALDH1A1LMNAMEN1
SCHEMBL916327 0.84 HTT (0.38) ALDH1A1LMNAMEN1KMT2ATDP1

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 RECQL 4179/4885PDE7A 1475/4885ALDH1A1 420/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 RECQL 2782/4885PDE7A 3067/4885ALDH1A1 2340/4885

“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.