SCHEMBL711655

SCHEMBL711655

COc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
P2RX7 Q99572 6/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PDE7A Q13946 1/20 0.36
PLA2G2A P14555 1/20 0.36
DCTPP1 Q9H773 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
RAB9A P51151 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 2/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 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
SCHEMBL3263625 0.91 TP53 (0.40) TP53CNR1CNR2P2RX7SMN1; SMN2
SCHEMBL3250675 0.87 MTNR1A (0.39) TP53SMN1; SMN2PDE7AMTNR1AMTNR1B
SCHEMBL10131759 0.86 DCTPP1 (0.40) TP53CNR1CNR2PDE7APLA2G2A
SCHEMBL708494 0.86 CNR1 (0.37) CNR1CNR2SMN1; SMN2PDE7APLA2G2A
SCHEMBL711656 0.85 SMN1; SMN2 (0.46) CNR2SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL708824 0.85 PDE7A (0.43) SMN1; SMN2PDE7AKMT2AALDH1A1MEN1
SCHEMBL708506 0.85 PDE7A (0.38) SMN1; SMN2PDE7APLA2G2AKMT2AALDH1A1
SCHEMBL917293 0.85 PDE7A (0.36) SMN1; SMN2PDE7AKMT2AALDH1A1MEN1
SCHEMBL916625 0.85 SLC6A2 (0.39) TP53P2RX7SMN1; SMN2PDE7AKMT2A
SCHEMBL916624 0.84 PDE7A (0.40) SMN1; SMN2PDE7AKMT2AALDH1A1MEN1

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
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-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-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
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 TP53 571/4885CNR1 246/4885CNR2 446/4885
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AR, NR5A1, SHBG TP53 410/4885CNR1 97/4885CNR2 158/4885

“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.