SCHEMBL10131759

SCHEMBL10131759

COc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3ccncc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
GSK3B P49841 1/20 0.38
QPCT Q16769 1/20 0.38
PLA2G2A P14555 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LMNA P02545 2/20 0.37
PDE7A Q13946 1/20 0.36
PKM P14618 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
SCHEMBL708494 0.90 CNR1 (0.37) DCTPP1CNR1CNR2ALDH1A1MEN1
SCHEMBL3258185 0.88 RAB9A (0.37) DCTPP1ALDH1A1MAPTHTTMEN1
SCHEMBL711655 0.86 TP53 (0.38) DCTPP1CNR1CNR2ALDH1A1MEN1
SCHEMBL711463 0.86 DCTPP1 (0.39) DCTPP1CNR1CNR2ALDH1A1MAPT
SCHEMBL710542 0.86 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AGSK3B
SCHEMBL3263625 0.86 TP53 (0.40) DCTPP1CNR1CNR2MEN1KMT2A
SCHEMBL708821 0.86 CNR1 (0.44) CNR1CNR2ALDH1A1MAPTHTT
SCHEMBL3248070 0.85 RAB9A (0.36) DCTPP1ALDH1A1MAPTKMT2AGSK3B
Hydrochloric Acid SCHEMBL709675 0.85 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AGSK3B
SCHEMBL915440 0.85 MAPT (0.39) CNR1CNR2ALDH1A1MAPTHTT

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 6 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-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

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 4604/4885CNR1 246/4885CNR2 446/4885

“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.