SCHEMBL3248070

SCHEMBL3248070

COc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3cnccn3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.36
PKM P14618 2/20 0.36
GSK3B P49841 1/20 0.36
QPCT Q16769 1/20 0.36
XDH P47989 1/20 0.36
TXNRD1 Q16881 1/20 0.36
NPC1 O15118 4/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 1/20 0.35
PDE7A Q13946 1/20 0.34
DCTPP1 Q9H773 1/20 0.34
GAA P10253 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL710542 0.90 ALDH1A1 (0.44) RAB9APKMGSK3BQPCTNPC1
Hydrochloric Acid SCHEMBL709675 0.89 ALDH1A1 (0.43) RAB9APKMGSK3BQPCTNPC1
SCHEMBL3258185 0.88 RAB9A (0.37) RAB9APKMGSK3BQPCTNPC1
SCHEMBL10131759 0.85 DCTPP1 (0.40) RAB9APKMGSK3BQPCTMAPT
SCHEMBL708494 0.84 CNR1 (0.37) RAB9AGSK3BQPCTNPC1SMN1; SMN2
SCHEMBL13140463 0.83 SLC22A12 (0.34) RAB9APKMNPC1MAPTSMN1; SMN2
SCHEMBL3256198 0.82 MAPT (0.37) RAB9APKMGSK3BQPCTNPC1
SCHEMBL711463 0.81 DCTPP1 (0.39) NPC1MAPTKMT2AALDH1A1PDE7A
SCHEMBL711655 0.80 TP53 (0.38) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL3263625 0.79 TP53 (0.40) RAB9ASMN1; SMN2KMT2APDE7ADCTPP1

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 8 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
EP-1585727-B1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES ORGANON NV (NL) 2010-05-26 EP 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 RAB9A 4427/4885PKM 3835/4885GSK3B 1707/4885

“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.