SCHEMBL711463

SCHEMBL711463

COc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3ccc(Cl)nc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 2/20 0.39
KMT2A Q03164 3/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HRAS P01112 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL10131759 0.86 DCTPP1 (0.40) DCTPP1KMT2AHSP90AA1HSP90AB1PDE4A
SCHEMBL708494 0.85 CNR1 (0.37) DCTPP1KMT2AHSP90AA1HSP90AB1PDE4A
SCHEMBL13356755 0.84 SLC6A2 (0.42) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL711655 0.83 TP53 (0.38) DCTPP1KMT2ACNR1CNR2HDAC1
SCHEMBL3263625 0.82 TP53 (0.40) DCTPP1KMT2ACNR1CNR2HDAC1
SCHEMBL710542 0.82 ALDH1A1 (0.44) KMT2AALDH1A1MAPTLMNAMEN1
SCHEMBL3248070 0.81 RAB9A (0.36) DCTPP1KMT2AALDH1A1MAPTPDE7A
Hydrochloric Acid SCHEMBL709675 0.81 ALDH1A1 (0.43) KMT2AALDH1A1MAPTLMNAMEN1
SCHEMBL3258185 0.80 RAB9A (0.37) DCTPP1KMT2AHSP90AA1HSP90AB1ALDH1A1
SCHEMBL3250675 0.76 MTNR1A (0.39) KMT2AALDH1A1MAPTHTTLMNA

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
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
EP-1585727-B1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES ORGANON NV (NL) 2010-05-26 EP 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 DCTPP1 4604/4885KMT2A 1608/4885HSP90AA1 1303/4885

“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.