SCHEMBL2763064

SCHEMBL2763064

O=C(CCCCCO[N+](=O)[O-])Oc1ccccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.59
KMT2A Q03164 3/20 0.59
MEN1 O00255 1/20 0.59
RECQL P46063 1/20 0.59
PTGS2 P35354 3/20 0.56
HSD17B10 Q99714 6/20 0.45
ALDH1A1 P00352 5/20 0.45
HPGD P15428 4/20 0.44
ESR1 P03372 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HMGB1 P09429 1/20 0.43
TSHR P16473 1/20 0.43
GGT1 P19440 1/20 0.43
PTGS1 P23219 1/20 0.43
BLM P54132 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ESR2 Q92731 2/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL2764187 0.99 KDM4E (0.60) KDM4EKMT2AMEN1RECQLPTGS2
SCHEMBL2762653 0.95 KDM4E (0.62) KDM4EKMT2AMEN1RECQLPTGS2
SCHEMBL14697091 0.90 PTGS2 (0.60) KDM4EKMT2AMEN1RECQLPTGS2
SCHEMBL2763195 0.89 KDM4E (0.57) KDM4EKMT2AMEN1RECQLPTGS2
SCHEMBL554495 0.86 PTGS2 (0.61) KDM4EKMT2AMEN1RECQLPTGS2
SCHEMBL13109053 0.85 KDM4E (0.79) KDM4EKMT2AMEN1RECQLPTGS2
SCHEMBL973615 0.85 KDM4E (0.79) KDM4EKMT2AMEN1RECQLPTGS2
SCHEMBL15941675 0.84 ALDH1A1 (0.59) KDM4EKMT2AMEN1RECQLPTGS2
SCHEMBL555682 0.83 PTGS2 (0.65) KDM4EKMT2AMEN1RECQLPTGS2
SCHEMBL3765406 0.83 KDM4E (0.81) KDM4EKMT2AMEN1RECQLPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8303978-B2 Controlled release of nitric oxide and drugs from functionalized macromers and oligomers BEZWADA BIOMEDICAL, LLC (US) 2012-11-06 US disclosed
EP-2398761-A2 CONTROLLED RELEASE OF NITRIC OXIDE AND DRUGS FROM FUNCTIONALIZED MACROMERS AND OLIGOMERS Bezwada Biomedical, LLC (US) 2011-12-28 EP disclosed
EP-1951653-B1 SALICYLIC ACID DERIVATIVES NICOX SA (FR) 2010-10-20 EP disclosed
WO-2010096320-A2 CONTROLLED RELEASE OF NITRIC OXIDE AND DRUGS FROM FUNCTIONALIZED MACROMERS AND OLIGOMERS BEZWADA BIOMEDICAL, LLC (US) 2010-08-26 WO disclosed
US-20100209469-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers BEZWADA BIOMEDICAL, LLC. (US) 2010-08-19 US disclosed
US-20080293781-A1 Salicylic Acid Derivatives NICOX S.A. (FR) 2008-11-27 US disclosed
US-20080293781-A1 Salicylic Acid Derivatives NICOX S.A. (FR) 2008-11-27 US disclosed
EP-1951653-A1 SALICYLIC ACID DERIVATIVES NicOx S.A. (FR) 2008-08-06 EP disclosed
WO-2007060112-A1 SALICYLIC ACID DERIVATIVES NICOX S.A. (FR) 2007-05-31 WO disclosed
WO-2007060112-A1 SALICYLIC ACID DERIVATIVES NICOX S.A. (FR) 2007-05-31 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-20100209469-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers NOS2, NOS1, NOS3 KDM4E 960/4885KMT2A 4360/4885MEN1 1770/4885
US-20080293781-A1 Salicylic Acid Derivatives PTGS2, PTGS1, PTGES2 KDM4E 2665/4885KMT2A 2780/4885MEN1 4722/4885

“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.