SCHEMBL1623288

SCHEMBL1623288

O=[N+]([O-])c1ccc(OCCCN2CCCCC2)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
HTT P42858 1/20 0.62
HRH3 Q9Y5N1 13/20 0.60
ALDH1A1 P00352 3/20 0.58
KCNH2 Q12809 2/20 0.54
LTA4H P09960 2/20 0.54
PTGS1 P23219 2/20 0.54
PTGS2 P35354 2/20 0.54
TDP1 Q9NUW8 1/20 0.53
MAPK1 P28482 1/20 0.53
ACHE P22303 1/20 0.52
RAD52 P43351 1/20 0.52

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
SCHEMBL954152 0.92 KDM4E (0.70) KDM4EMEN1KMT2AHTTHRH3
SCHEMBL16423999 0.88 HRH3 (0.60) KDM4EMEN1KMT2AHTTHRH3
SCHEMBL2890946 0.87 HRH3 (0.61) KDM4EMEN1KMT2AHTTHRH3
SCHEMBL14419427 0.87 KDM4E (0.64) KDM4EMEN1KMT2AHTTHRH3
SCHEMBL21814277 0.87 KDM4E (0.61) KDM4EMEN1KMT2AHTTHRH3
SCHEMBL14419242 0.87 KDM4E (0.78) KDM4EMEN1KMT2AHTTHRH3
SCHEMBL1707840 0.86 KDM4E (0.56) KDM4EMEN1KMT2AHTTHRH3
SCHEMBL21814293 0.85 KDM4E (0.59) KDM4EMEN1KMT2AHTTHRH3
SCHEMBL29380601 0.85 KDM4E (0.59) KDM4EMEN1KMT2AHTTHRH3
SCHEMBL267436 0.82 KDM4E (0.61) KDM4EMEN1KMT2AHTTHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928231-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2011-04-19 US disclosed
US-7928231-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2011-04-19 US disclosed
US-7928231-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2011-04-19 US disclosed
US-20100056514-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2010-03-04 US disclosed
US-20100056514-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2010-03-04 US disclosed
US-20100056514-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2010-03-04 US disclosed
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 US disclosed
EP-1682553-A1 THIENOPYRAZOLES Aventis Pharmaceuticals Inc. (US) 2006-07-26 EP disclosed
WO-2005026175-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2005-03-24 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-20100056514-A1 THIENOPYRAZOLES ITK, IL2, TYK2 KDM4E 3583/4885MEN1 4673/4885KMT2A 2851/4885
US-20070254937-A1 Thienopyrazoles ITK, IL2, JAK2 KDM4E 3894/4885MEN1 4708/4885KMT2A 3141/4885

“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.