SCHEMBL708822

SCHEMBL708822

N#Cc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3cncnc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 6/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
SMO Q99835 1/20 0.33
POLB P06746 1/20 0.33
VCAM1 P19320 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CCR6 P51684 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 3/20 0.33
CYP19A1 P11511 1/20 0.33
PKM P14618 1/20 0.33
SLC22A12 Q96S37 2/20 0.33

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
SCHEMBL3254071 0.91 APP (0.40) SMN1; SMN2MAPTALDH1A1HTTMEN1
SCHEMBL3254604 0.90 MAPT (0.39) PDE7ASMN1; SMN2MAPTALDH1A1HTT
SCHEMBL3253737 0.87 L3MBTL1 (0.41) PDE7ASMN1; SMN2MAPTALDH1A1HTT
SCHEMBL3256198 0.86 MAPT (0.37) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL707715 0.86 ALDH1A1 (0.43) PDE7ASMN1; SMN2MAPTALDH1A1HTT
SCHEMBL710094 0.86 PDE7A (0.36) PDE7ASMN1; SMN2MAPTALDH1A1HTT
SCHEMBL711641 0.85 MAPT (0.38) PDE7ASMN1; SMN2MAPTALDH1A1HTT
SCHEMBL712111 0.83 ALDH1A1 (0.35) PDE7ASMN1; SMN2MAPTALDH1A1HTT
SCHEMBL13356997 0.83 SLC6A2 (0.39) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL709751 0.83 MAPT (0.47) PDE7ASMN1; SMN2MAPTALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 PDE7A 935/4885SMN1; SMN2 4743/4885MAPT 1708/4885
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AR, NR5A1, SHBG PDE7A 1353/4885SMN1; SMN2 4512/4885MAPT 1251/4885

“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.