SCHEMBL712089

SCHEMBL712089

O=[N+]([O-])c1ccccc1Sc1cn(Cc2ccncn2)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
HTT P42858 4/20 0.42
LMNA P02545 2/20 0.42
PDE7A Q13946 2/20 0.40
MAPT P10636 6/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP1A2 P05177 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CYP3A4 P08684 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
SCHEMBL711766 0.89 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HTTLMNAPDE7A
SCHEMBL10131631 0.86 PDE7A (0.34) ALDH1A1SMN1; SMN2HTTLMNAPDE7A
SCHEMBL711641 0.86 MAPT (0.38) ALDH1A1SMN1; SMN2HTTLMNAPDE7A
SCHEMBL3258185 0.86 RAB9A (0.37) ALDH1A1SMN1; SMN2HTTPDE7AMAPT
SCHEMBL708821 0.86 CNR1 (0.44) ALDH1A1SMN1; SMN2HTTLMNAPDE7A
SCHEMBL707715 0.83 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HTTLMNAPDE7A
SCHEMBL710143 0.81 CNR1 (0.47) ALDH1A1SMN1; SMN2HTTLMNAPDE7A
SCHEMBL916215 0.78 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HTTLMNAPDE7A
SCHEMBL3258210 0.77 LMNA (0.43) ALDH1A1SMN1; SMN2LMNAPDE7AMAPT
SCHEMBL10131626 0.76 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HTTLMNAPDE7A

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 4 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-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-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 (2 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 ALDH1A1 1052/4885SMN1; SMN2 4743/4885HTT 2200/4885
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AR, NR5A1, SHBG ALDH1A1 773/4885SMN1; SMN2 4512/4885HTT 1125/4885

“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.