SCHEMBL711546

SCHEMBL711546

O=[N+]([O-])c1ccccc1Sc1cn(Cc2cc(F)cc(F)c2)c2cc(NS(=O)(=O)c3ccsc3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 5/20 0.38
PKM P14618 2/20 0.35
FFAR4 Q5NUL3 1/20 0.34
LMNA P02545 5/20 0.34
MAPT P10636 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 4/20 0.33
HTT P42858 3/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NR3C1 P04150 1/20 0.32
AR P10275 1/20 0.32
GAA P10253 2/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL711086 0.86 KMT2A (0.38) NR1I2PKMLMNAMAPTMEN1
SCHEMBL709919 0.82 NR1I2 (0.41) NR1I2PKMLMNAALDH1A1SMN1; SMN2
SCHEMBL916625 0.82 SLC6A2 (0.39) NR1I2LMNAMAPTMEN1KMT2A
SCHEMBL916280 0.81 MAPT (0.39) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL916097 0.80 KMT2A (0.39) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL917414 0.80 SLC6A2 (0.35) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL3256709 0.79 LMNA (0.37) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL710045 0.79 PDE7A (0.41) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL916726 0.79 KMT2A (0.36) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL917353 0.79 MAPT (0.35) LMNAMAPTMEN1KMT2AALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124647-B2 Non-steroidal androgens compounds N.V. ORGANON (NL) 2012-02-28 US disclosed
US-8124647-B2 Non-steroidal androgens compounds N.V. ORGANON (NL) 2012-02-28 US disclosed
US-20110065768-A1 NON-STEROIDAL ANDROGENS COMPOUNDS MERCK SHARP & DOHME B.V. (NL) 2011-03-17 US disclosed
US-20110065768-A1 NON-STEROIDAL ANDROGENS COMPOUNDS MERCK SHARP & DOHME B.V. (NL) 2011-03-17 US disclosed
US-7795280-B2 Indoles useful in the treatment of androgen-receptor related diseases N.V. ORGANON (NL) 2010-09-14 US disclosed
US-7795280-B2 Indoles useful in the treatment of androgen-receptor related diseases N.V. ORGANON (NL) 2010-09-14 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 (1 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-20110065768-A1 NON-STEROIDAL ANDROGENS COMPOUNDS AR, NR5A1, SHBG NR1I2 51/4885PKM 3835/4885FFAR4 128/4885

“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.