SCHEMBL3074461

SCHEMBL3074461

CC(C)(C)OC(=O)N(c1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3cncnc3)c2c1)N(C=O)c1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3cncnc3)c2c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.31
SLC29A1 Q99808 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL715228 0.89 ALDH1A1 (0.35) ALDH1A1LMNANPSR1HTTSMN1; SMN2
SCHEMBL914973 0.82 KDM4E (0.36) ALDH1A1LMNANPSR1HTTSMN1; SMN2
SCHEMBL916862 0.81 BRD4 (0.37) ALDH1A1LMNANPSR1HTTSMN1; SMN2
SCHEMBL917442 0.78 BRD4 (0.35) ALDH1A1LMNANPSR1HTTSMN1; SMN2
SCHEMBL917639 0.78 MAPT (0.40) ALDH1A1LMNANPSR1SMN1; SMN2PDE4A
SCHEMBL917626 0.78 KDM4E (0.35) ALDH1A1LMNANPSR1HTTPDE4A
SCHEMBL716247 0.77 SLC6A4 (0.33) ALDH1A1LMNANPSR1HTTSMN1; SMN2
SCHEMBL916278 0.77 SLC6A4 (0.36) ALDH1A1LMNANPSR1HTTSMN1; SMN2
SCHEMBL917635 0.77 RECQL (0.40) ALDH1A1LMNANPSR1SMN1; SMN2PDE4A
SCHEMBL917572 0.77 MEN1 (0.39) ALDH1A1LMNANPSR1SMN1; SMN2POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795280-B2 Indoles useful in the treatment of androgen-receptor related diseases N.V. ORGANON (NL) 2010-09-14 US disclosed
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AKZO NOBEL N.V. (NL) 2006-06-15 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-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AR, NR5A1, SHBG ALDH1A1 773/4885LMNA 3643/4885NPSR1 70/4885

“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.