SCHEMBL711877

SCHEMBL711877

O=[N+]([O-])c1[c]cc(-c2ccccc2SCl)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AR P10275 1/20 0.30
HTR7 P34969 1/20 0.30
MAOB P27338 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL6190813 0.75 CNR2 (0.39) ALDH1A1TDP1
SCHEMBL3542595 0.74 POLB (0.43) ALDH1A1TDP1NPC1RAB9A
SCHEMBL6193406 0.72 NPC1 (0.34) ALDH1A1TDP1NPC1RAB9A
SCHEMBL10769347 0.71 MAPT (0.32) ALDH1A1TDP1
SCHEMBL4451869 0.68 HSD11B1 (0.35) ALDH1A1AR
SCHEMBL2040645 0.64 MAPK1 (0.41) ALDH1A1TDP1NPC1RAB9A
SCHEMBL397345 0.64 PDE7A (0.56) ALDH1A1TDP1
SCHEMBL2818365 0.63 ALDH1A1 (0.48) ALDH1A1TDP1ARHTR7MAOB
SCHEMBL8729234 0.63 ALDH1A1 (0.48) ALDH1A1TDP1HTR7MAOBNPC1
SCHEMBL18603 0.62 ALDH1A1 (0.43) ALDH1A1TDP1

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 7 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-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
EP-1585727-B1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES ORGANON NV (NL) 2010-05-26 EP disclosed
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AKZO NOBEL N.V. (NL) 2006-06-15 US disclosed
EP-1585727-A1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES Akzo Nobel N.V. (NL) 2005-10-19 EP disclosed
WO-2004041782-A1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES AKZO NOBEL N.V. (NL) 2004-05-21 WO 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-20110065768-A1 NON-STEROIDAL ANDROGENS COMPOUNDS AR, NR5A1, SHBG ALDH1A1 1052/4885TDP1 4437/4885AR 1/4885
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AR, NR5A1, SHBG ALDH1A1 773/4885TDP1 3362/4885AR 1/4885

“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.