SCHEMBL915440

SCHEMBL915440

CNc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3ccncc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
LMNA P02545 3/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
GAA P10253 2/20 0.38
ALPG P10696 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE7A Q13946 4/20 0.36
RECQL P46063 1/20 0.36
NR1I2 O75469 2/20 0.36
KCNH2 Q12809 1/20 0.36
DYRK1A Q13627 1/20 0.36
PDE4B Q07343 2/20 0.35

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) MAPTSMN1; SMN2LMNASLC6A2SLC6A4
SCHEMBL916327 0.90 HTT (0.38) MAPTSMN1; SMN2LMNASLC6A2SLC6A4
SCHEMBL917542 0.90 SLC6A2 (0.38) MAPTSMN1; SMN2LMNASLC6A2SLC6A4
SCHEMBL915774 0.89 KMT2A (0.42) MAPTSMN1; SMN2LMNASLC6A2SLC6A4
SCHEMBL916561 0.87 SLC6A2 (0.39) MAPTSMN1; SMN2LMNASLC6A2SLC6A4
SCHEMBL916552 0.87 RECQL (0.47) MAPTSMN1; SMN2LMNASLC6A2SLC6A4
SCHEMBL916625 0.86 SLC6A2 (0.39) MAPTSMN1; SMN2LMNASLC6A2SLC6A4
SCHEMBL916219 0.86 ALDH1A1 (0.47) MAPTSMN1; SMN2LMNASLC6A2SLC6A4
SCHEMBL915683 0.86 ALDH1A1 (0.41) MAPTSMN1; SMN2LMNASLC6A2SLC6A4
SCHEMBL708821 0.86 CNR1 (0.44) MAPTSMN1; SMN2LMNAALDH1A1HTT

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 MAPT 1573/4885SMN1; SMN2 3987/4885LMNA 3044/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 MAPT 4558/4885SMN1; SMN2 3754/4885LMNA 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.