SCHEMBL915447

SCHEMBL915447

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 5/20 0.38
PKM P14618 4/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 2/20 0.38
CFTR P13569 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALPG P10696 1/20 0.36
CTSB P07858 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 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
SCHEMBL915683 0.91 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTPKMLMNA
SCHEMBL916731 0.90 MAPT (0.38) ALDH1A1KDM4EMAPTPKMLMNA
SCHEMBL916363 0.89 TLR7 (0.39) ALDH1A1KDM4EMAPTPKMLMNA
SCHEMBL3256617 0.88 KMT2A (0.41) ALDH1A1KDM4EMAPTLMNAL3MBTL1
SCHEMBL3253081 0.88 MEN1 (0.41) ALDH1A1KDM4EMAPTLMNAL3MBTL1
SCHEMBL711766 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTLMNAGAA
SCHEMBL711272 0.84 MEN1 (0.38) ALDH1A1KDM4EMAPTLMNAGAA
SCHEMBL916215 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTLMNAGAA
SCHEMBL710542 0.83 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTPKMLMNA
SCHEMBL916895 0.83 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTPKMLMNA

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 ALDH1A1 420/4885KDM4E 1670/4885MAPT 1573/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 ALDH1A1 2340/4885KDM4E 1577/4885MAPT 4558/4885

“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.