SCHEMBL916634

SCHEMBL916634

NCc1ccc2c(S(=O)(=O)c3ccccc3[N+](=O)[O-])cn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 3/20 0.40
RXFP1 Q9HBX9 2/20 0.38
THRB P10828 3/20 0.38
HTR6 P50406 2/20 0.37
MDM2 Q00987 1/20 0.37
TP53 P04637 1/20 0.36
NR1I2 O75469 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL916636 0.85 MDM2 (0.42) KMT2AMEN1LMNARXFP1THRB
SCHEMBL711459 0.85 TP53 (0.49) KMT2AMEN1RXFP1THRBHTR6
SCHEMBL916624 0.80 PDE7A (0.40) KMT2AMEN1LMNAALDH1A1HSP90AA1
SCHEMBL916479 0.78 HTR6 (0.35) KMT2AMEN1LMNARXFP1THRB
SCHEMBL916281 0.75 PDE7A (0.39) KMT2AMEN1LMNAALDH1A1HSP90AA1
SCHEMBL917261 0.75 MEN1 (0.38) KMT2AMEN1LMNAALDH1A1HSP90AA1
SCHEMBL916099 0.74 PDE7A (0.37) KMT2AMEN1LMNAALDH1A1HSP90AA1
SCHEMBL915772 0.73 KMT2A (0.45) KMT2AMEN1LMNAALDH1A1HSP90AA1
SCHEMBL916539 0.73 MAPK1 (0.44) KMT2AMEN1LMNARXFP1THRB
SCHEMBL13356972 0.71 HTR6 (0.48) RXFP1THRBHTR6TP53MAPT

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 KMT2A 1595/4885MEN1 326/4885LMNA 3044/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 KMT2A 3473/4885MEN1 2248/4885LMNA 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.