SCHEMBL711641

SCHEMBL711641

N#Cc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3ccncn3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.37
PDE7A Q13946 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CDC7 O00311 1/20 0.34
SLC22A12 Q96S37 2/20 0.33
HTT P42858 1/20 0.33
LRRK2 Q5S007 2/20 0.33
ADORA2B P29275 1/20 0.33
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CCR6 P51684 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
VCAM1 P19320 1/20 0.32

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
SCHEMBL709751 0.91 MAPT (0.47) MAPTLMNAPKMMEN1KMT2A
Hydrochloric Acid SCHEMBL710238 0.90 MAPT (0.46) MAPTLMNAPKMMEN1KMT2A
SCHEMBL3254604 0.88 MAPT (0.39) MAPTLMNAPKMMEN1KMT2A
SCHEMBL712089 0.86 ALDH1A1 (0.42) MAPTLMNAPKMMEN1KMT2A
SCHEMBL708822 0.85 PDE7A (0.36) MAPTLMNAPKMMEN1KMT2A
SCHEMBL10131631 0.84 PDE7A (0.34) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL3254071 0.84 APP (0.40) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL3258185 0.84 RAB9A (0.37) MAPTPKMMEN1KMT2AALDH1A1
SCHEMBL3253737 0.82 L3MBTL1 (0.41) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL3256198 0.82 MAPT (0.37) MAPTLMNAPKMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4643989-B2 2011-03-02 JP claimed
EP-1585727-B1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES ORGANON NV (NL) 2010-05-26 EP claimed
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AKZO NOBEL N.V. (NL) 2006-06-15 US claimed
JP-2006507293-A 2006-03-02 JP claimed
EP-1585727-A1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES Akzo Nobel N.V. (NL) 2005-10-19 EP claimed
WO-2004041782-A1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES AKZO NOBEL N.V. (NL) 2004-05-21 WO claimed
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 MAPT 1708/4885LMNA 3778/4885PKM 3835/4885
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AR, NR5A1, SHBG MAPT 1251/4885LMNA 3643/4885PKM 4282/4885

“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.