SCHEMBL915796

SCHEMBL915796

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
SLC29A1 Q99808 1/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
PPARG P37231 1/20 0.37
ICMT O60725 2/20 0.37
PARP1 P09874 1/20 0.37
HTT P42858 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL916541 0.89 MAPK1 (0.42) MEN1KMT2AMAPTLMNASLC29A1
SCHEMBL915354 0.89 SLC6A2 (0.41) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL916219 0.88 ALDH1A1 (0.47) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL916552 0.87 RECQL (0.47) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL916625 0.85 SLC6A2 (0.39) MEN1KMT2AMAPTLMNASLC29A1
SCHEMBL915774 0.85 KMT2A (0.42) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL2914078 0.85 L3MBTL1 (0.37) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL915440 0.83 MAPT (0.39) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL916327 0.83 HTT (0.38) MEN1KMT2AMAPTLMNASLC29A1
SCHEMBL917542 0.83 SLC6A2 (0.38) MEN1KMT2AMAPTLMNAALDH1A1

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 MEN1 326/4885KMT2A 1595/4885MAPT 1573/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 MEN1 2248/4885KMT2A 3473/4885MAPT 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.