SCHEMBL916363

SCHEMBL916363

COCCNc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3ccccn3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.39
MAPT P10636 3/20 0.37
PKM P14618 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 4/20 0.35
GAA P10253 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34
CTSB P07858 1/20 0.33
GNRHR P30968 1/20 0.33
S1PR3 Q99500 1/20 0.33
F2 P00734 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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 0.89 ALDH1A1 (0.39) MAPTPKMALDH1A1KDM4ELMNA
SCHEMBL915683 0.87 ALDH1A1 (0.41) MAPTPKMALDH1A1KDM4ELMNA
SCHEMBL916731 0.86 MAPT (0.38) MAPTPKMALDH1A1KDM4ELMNA
SCHEMBL916245 0.85 KDM4E (0.38) MAPTPKMALDH1A1KDM4ELMNA
SCHEMBL917610 0.85 LMNA (0.36) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL3253081 0.84 MEN1 (0.41) MAPTALDH1A1KDM4ELMNASLC6A2
SCHEMBL710542 0.83 ALDH1A1 (0.44) MAPTPKMALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL709675 0.83 ALDH1A1 (0.43) MAPTPKMALDH1A1KDM4ELMNA
SCHEMBL3256617 0.82 KMT2A (0.41) MAPTALDH1A1KDM4ELMNASLC6A2
SCHEMBL711272 0.82 MEN1 (0.38) MAPTALDH1A1KDM4ELMNAGAA

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 TLR7 3865/4885MAPT 1573/4885PKM 3416/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 TLR7 1336/4885MAPT 4558/4885PKM 4178/4885

“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.