SCHEMBL710146

SCHEMBL710146

O=[N+]([O-])c1ccc2ccn(Cc3cncnc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.47
CDC7 O00311 1/20 0.43
HTR6 P50406 1/20 0.40
PAX8 Q06710 2/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
SLC6A2 P23975 1/20 0.39
CYP19A1 P11511 1/20 0.38
GLS O94925 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
NOS1 P29475 1/20 0.38
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CCR2 P41597 1/20 0.37
DBH P09172 1/20 0.36

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
SCHEMBL915161 0.86 HTR6 (0.46) HTR7CDC7HTR6PAX8CYP19A1
SCHEMBL1122365 0.82 NPC1 (0.54) HTR7HTR6PAX8MAPTNPC1
SCHEMBL6086636 0.81 IDO1 (0.53) HTR7CDC7PLGPLAULMNA
SCHEMBL709684 0.80 HTR7 (0.48) HTR7CDC7PAX8PLGPLAU
SCHEMBL710538 0.76 HTR6 (0.49) HTR6PLGPLAUMAPT
SCHEMBL31661470 0.76 NPC1 (0.48) PAX8PLGPLAUSLC6A2CYP19A1
SCHEMBL7079553 0.76 NPC1 (0.48) PAX8PLGPLAUSLC6A2CYP19A1
SCHEMBL27732789 0.76 HTR7 (0.54) HTR7CDC7PLGPLAUSLC6A2
SCHEMBL3312100 0.76 HTR7 (0.57) HTR7CDC7PLGPLAUSLC6A2
SCHEMBL7079675 0.75 SLC6A2 (0.57) HTR6PAX8PLGPLAUSLC6A2

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 9 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
CN-100391944-C Indoles useful in the treatment of androgen-receptor related diseases AKZO NOBEL NV (NL) 2008-06-04 CN disclosed
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AKZO NOBEL N.V. (NL) 2006-06-15 US disclosed
CN-1714078-A Indoles useful in the treatment of androgen-receptor related diseases AKZO NOBEL NV (NL) 2005-12-28 CN 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 HTR7 383/4885CDC7 3210/4885HTR6 505/4885
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AR, NR5A1, SHBG HTR7 162/4885CDC7 3068/4885HTR6 155/4885

“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.