SCHEMBL709948

SCHEMBL709948

COC(=O)c1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3ccccn3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
CFTR P13569 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 4/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 3/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90B1 P14625 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL3259250 0.90 SLC6A2 (0.47) LMNAMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL711274 0.89 ALDH1A1 (0.51) LMNAMAPTHTTALDH1A1POLB
SCHEMBL3258210 0.88 LMNA (0.43) LMNAMAPTSMN1; SMN2ALDH1A1POLB
SCHEMBL709130 0.88 ALDH1A1 (0.41) LMNAMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL710542 0.85 ALDH1A1 (0.44) LMNAMAPTSMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL709675 0.85 ALDH1A1 (0.43) LMNAMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL3253081 0.84 MEN1 (0.41) LMNAMAPTHTTALDH1A1POLB
SCHEMBL915683 0.84 ALDH1A1 (0.41) LMNAMAPTCFTRSMN1; SMN2HTT
SCHEMBL711656 0.83 SMN1; SMN2 (0.46) LMNAMAPTCFTRSMN1; SMN2HTT
SCHEMBL711766 0.83 ALDH1A1 (0.46) LMNAMAPTCFTRSMN1; SMN2HTT

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-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
EP-1585727-B1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES ORGANON NV (NL) 2010-05-26 EP disclosed
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AKZO NOBEL N.V. (NL) 2006-06-15 US disclosed
EP-1585727-A1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES Akzo Nobel N.V. (NL) 2005-10-19 EP disclosed
WO-2004041782-A1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES AKZO NOBEL N.V. (NL) 2004-05-21 WO 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 LMNA 3778/4885MAPT 1708/4885CFTR 1494/4885
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AR, NR5A1, SHBG LMNA 3643/4885MAPT 1251/4885CFTR 2881/4885

“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.