SCHEMBL916636

SCHEMBL916636

CNc1ccc2c(S(=O)(=O)c3ccccc3[N+](=O)[O-])cn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
PKM P14618 1/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 2/20 0.37
THRB P10828 2/20 0.37
HTR6 P50406 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP19A1 P11511 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
SCHEMBL711459 0.85 TP53 (0.49) KMT2AMEN1PKMTP53RXFP1
SCHEMBL916634 0.85 KMT2A (0.42) MDM2KMT2AMEN1NR1I2LMNA
SCHEMBL917917 0.83 MET (0.42) MDM2KMT2AMEN1NR1I2PKM
SCHEMBL916625 0.81 SLC6A2 (0.39) KMT2AMEN1NR1I2LMNATP53
SCHEMBL916479 0.78 HTR6 (0.35) MDM2KMT2AMEN1LMNATP53
SCHEMBL917262 0.76 GAA (0.37) KMT2AMEN1NR1I2PKMGAA
SCHEMBL711086 0.75 KMT2A (0.38) KMT2AMEN1NR1I2PKMLMNA
SCHEMBL916541 0.74 MAPK1 (0.42) KMT2AMEN1NR1I2LMNAGAA
SCHEMBL915774 0.74 KMT2A (0.42) KMT2AMEN1LMNATP53GAA
SCHEMBL916280 0.72 MAPT (0.39) KMT2AMEN1LMNAGAASMN1; SMN2

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 MDM2 1583/4885KMT2A 1595/4885MEN1 326/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 MDM2 3011/4885KMT2A 3473/4885MEN1 2248/4885

“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.