SCHEMBL916731

SCHEMBL916731

N#CCNc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3ccccn3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
PKM P14618 3/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RECQL P46063 1/20 0.37
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CTSB P07858 3/20 0.34
CFTR P13569 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ALPG P10696 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL915447 0.90 ALDH1A1 (0.39) MAPTPKMLMNAALDH1A1KDM4E
SCHEMBL915683 0.88 ALDH1A1 (0.41) MAPTPKMLMNAALDH1A1KDM4E
SCHEMBL709751 0.87 MAPT (0.47) MAPTPKMLMNAALDH1A1KDM4E
SCHEMBL916363 0.86 TLR7 (0.39) MAPTPKMLMNAALDH1A1KDM4E
Hydrochloric Acid SCHEMBL710238 0.86 MAPT (0.46) MAPTPKMLMNAALDH1A1KDM4E
SCHEMBL3253081 0.85 MEN1 (0.41) MAPTLMNAALDH1A1KDM4EMEN1
SCHEMBL916535 0.85 APP (0.37) MAPTPKMLMNAALDH1A1KDM4E
SCHEMBL3256617 0.84 KMT2A (0.41) MAPTLMNAALDH1A1KDM4EMEN1
SCHEMBL916806 0.83 MAPT (0.35) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL711766 0.82 ALDH1A1 (0.46) MAPTLMNAALDH1A1KDM4EMEN1

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 3 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
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 1573/4885PKM 3416/4885LMNA 3044/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 MAPT 4558/4885PKM 4178/4885LMNA 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.