SCHEMBL3192269

SCHEMBL3192269

O=C(O)c1ccc(Cn2ccc3cc([N+](=O)[O-])ccc32)cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.54
PLG P00747 2/20 0.54
PLAU P00749 2/20 0.54
CCR2 P41597 2/20 0.50
NPC1 O15118 1/20 0.49
HSP90AA1 P07900 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALOX5 P09917 1/20 0.48
EPHX2 P34913 1/20 0.48
HDAC8 Q9BY41 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC3 O15379 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46

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
SCHEMBL13299388 0.89 PPARG (0.56) PPARGPLGPLAUHDAC8HDAC6
SCHEMBL8243726 0.89 PLAU (0.58) PPARGPLGPLAUNPC1HSP90AA1
SCHEMBL3506074 0.87 PLG (0.52) PPARGPLGPLAUCCR2NPC1
SCHEMBL28882432 0.87 HDAC6 (0.64) PPARGPLGPLAUHDAC8HDAC6
SCHEMBL3184013 0.86 PPARG (0.55) PPARGPLGPLAUEPHX2HDAC8
SCHEMBL2263749 0.85 NPC1 (0.64) PPARGPLGPLAUNPC1HSP90AA1
SCHEMBL31335083 0.85 NR1H4 (0.50) PPARGPLGPLAUCCR2TDP1
SCHEMBL9184112 0.84 PAX8 (0.53) PPARGPLGPLAUCCR2NPC1
SCHEMBL6085876 0.84 IDO1 (0.50) PPARGPLGPLAUCCR2NPC1
SCHEMBL13299386 0.84 KCNJ1 (0.53) PPARGPLGPLAUHDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137363-A1 Substituted Indoles And Methods Of Their Use WYETH LLC (US) 2010-06-03 US disclosed
US-20100137363-A1 Substituted Indoles And Methods Of Their Use WYETH LLC (US) 2010-06-03 US disclosed
US-7683091-B2 Substituted indoles and methods of their use WYETH (US) 2010-03-23 US disclosed
US-7683091-B2 Substituted indoles and methods of their use WYETH (US) 2010-03-23 US disclosed
CN-101263115-A Substituted indoles and use thereof WYETH CORP (US) 2008-09-10 CN disclosed
EP-1919866-A2 SUBSTITUTED INDOLES AND USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP disclosed
US-20070043101-A1 Substituted indoles and methods of their use WYETH (US) 2007-02-22 US disclosed
US-20070043101-A1 Substituted indoles and methods of their use WYETH (US) 2007-02-22 US disclosed
US-20070043101-A1 Substituted indoles and methods of their use WYETH (US) 2007-02-22 US disclosed
WO-2007022321-A2 SUBSTITUTED INDOLES AND USE THEREOF WYETH (US) 2007-02-22 WO disclosed
WO-2007022321-A2 SUBSTITUTED INDOLES AND USE THEREOF WYETH (US) 2007-02-22 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-20070043101-A1 Substituted indoles and methods of their use INMT, AANAT, IDO2 PPARG 3579/4885PLG 4403/4885PLAU 4372/4885
US-20100137363-A1 Substituted Indoles And Methods Of Their Use INMT, AANAT, IDO2 PPARG 3579/4885PLG 4403/4885PLAU 4372/4885

“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.