SCHEMBL3258185

SCHEMBL3258185

COc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3ccncn3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.37
PKM P14618 2/20 0.37
GSK3B P49841 1/20 0.37
QPCT Q16769 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.35
NPC1 O15118 4/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
PDE7A Q13946 1/20 0.34
MAPT P10636 2/20 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
MTNR1A P48039 1/20 0.34
MTNR1B P49286 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 0.91 ALDH1A1 (0.44) RAB9APKMGSK3BQPCTSMN1; SMN2
Hydrochloric Acid SCHEMBL709675 0.90 ALDH1A1 (0.43) RAB9APKMGSK3BQPCTSMN1; SMN2
SCHEMBL3248070 0.88 RAB9A (0.36) RAB9APKMGSK3BQPCTSMN1; SMN2
SCHEMBL10131759 0.88 DCTPP1 (0.40) RAB9APKMGSK3BQPCTKMT2A
SCHEMBL712089 0.86 ALDH1A1 (0.42) PKMGSK3BQPCTSMN1; SMN2KMT2A
SCHEMBL708494 0.85 CNR1 (0.37) RAB9AGSK3BQPCTSMN1; SMN2NPC1
SCHEMBL10131631 0.84 PDE7A (0.34) RAB9ASMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL711641 0.84 MAPT (0.38) PKMSMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL3256198 0.82 MAPT (0.37) RAB9APKMGSK3BQPCTNPC1
SCHEMBL711655 0.80 TP53 (0.38) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1

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 7 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

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.