SCHEMBL709684

SCHEMBL709684

O=[N+]([O-])c1ccc2ccn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.48
BRD4 O60885 1/20 0.43
IDO1 P14902 1/20 0.43
SLC29A1 Q99808 1/20 0.43
CDC7 O00311 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PAX8 Q06710 1/20 0.39
AR P10275 1/20 0.39
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 1/20 0.38
PPARG P37231 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37
CCR2 P41597 1/20 0.37
DBH P09172 1/20 0.37
CYP1A2 P05177 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
SCHEMBL1122365 0.83 NPC1 (0.54) HTR7BRD4PAX8NPC1HSP90AA1
SCHEMBL6086636 0.82 IDO1 (0.53) HTR7IDO1CDC7PLGPLAU
SCHEMBL710146 0.80 HTR7 (0.47) HTR7CDC7PLGPLAUPAX8
SCHEMBL2770283 0.78 HDAC3 (0.51) PLGPLAUNPC1HSP90AA1PPARG
SCHEMBL4194376 0.78 IDO1 (0.54) IDO1SLC29A1PLGPLAUPAX8
SCHEMBL6087318 0.78 SLC29A1 (0.48) HTR7IDO1SLC29A1PAX8AR
SCHEMBL915161 0.77 HTR6 (0.46) HTR7SLC29A1CDC7PAX8
SCHEMBL3312100 0.77 HTR7 (0.57) HTR7CDC7PLGPLAUAR
SCHEMBL27732789 0.77 HTR7 (0.54) HTR7CDC7PLGPLAUAR
SCHEMBL710269 0.76 HTR6 (0.50) BRD4PLAUPPARGDBH

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 13 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-20110009428-A1 NOVEL ANDROGENS N.V. ORGANON (NL) 2011-01-13 US disclosed
US-7812036-B2 Androgens N.V. ORGANON (NL) 2010-10-12 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-1742912-B1 NOVEL ANDROGENS ORGANON NV (NL) 2010-08-25 EP disclosed
EP-1585727-B1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES ORGANON NV (NL) 2010-05-26 EP disclosed
US-20070225352-A1 Novel Androgens PHARMACOPELA DRUG DISCOVERY, INC. (US) 2007-09-27 US disclosed
EP-1742912-A1 NOVEL ANDROGENS N.V. Organon (NL) 2007-01-17 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
WO-2005102998-A1 NOVEL ANDROGENS N.V. ORGANON (NL) 2005-11-03 WO 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 (4 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-20070225352-A1 Novel Androgens NR5A1, AR, SHBG HTR7 636/4885BRD4 867/4885IDO1 2841/4885
US-20110065768-A1 NON-STEROIDAL ANDROGENS COMPOUNDS AR, NR5A1, SHBG HTR7 383/4885BRD4 1065/4885IDO1 4046/4885
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AR, NR5A1, SHBG HTR7 162/4885BRD4 743/4885IDO1 127/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 HTR7 252/4885BRD4 688/4885IDO1 2656/4885

“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.