SCHEMBL728244

SCHEMBL728244

CCOc1ccc([N+](=O)[O-])cc1C(=O)NO

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.57
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NPSR1 Q6W5P4 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.46
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
AKR1C3 P42330 1/20 0.46
TBXA2R P21731 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL730095 0.84 ALDH1A1 (0.54) POLBKMT2AMEN1L3MBTL1NPSR1
SCHEMBL728206 0.84 MEN1 (0.57) POLBKMT2AMEN1NPC1MAPT
SCHEMBL5016734 0.84 CYP3A4 (0.54) POLBKMT2AMEN1L3MBTL1NPSR1
SCHEMBL18113435 0.84 HTT (0.57) POLBKMT2AMEN1L3MBTL1NPSR1
SCHEMBL6487241 0.83 NPSR1 (0.54) POLBKMT2AMEN1L3MBTL1NPSR1
SCHEMBL15486428 0.83 POLB (0.54) POLBKMT2AMEN1L3MBTL1NPSR1
SCHEMBL16958111 0.82 MAPT (0.52) POLBKMT2AMEN1L3MBTL1NPSR1
SCHEMBL12236634 0.82 SMN1; SMN2 (0.59) POLBKMT2AMEN1L3MBTL1NPSR1
SCHEMBL14277069 0.81 POLB (0.49) POLBKMT2AMEN1L3MBTL1NPSR1
SCHEMBL16952483 0.79 ALDH1A1 (0.49) POLBKMT2AMEN1L3MBTL1NPSR1

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-8450506-B2 Compounds and their salts specific to the PPAR receptors and the EGF Receptors and their use in the medical field NOGRA PHARMA LIMITED (IE) 2013-05-28 US disclosed
US-8450506-B2 Compounds and their salts specific to the PPAR receptors and the EGF Receptors and their use in the medical field NOGRA PHARMA LIMITED (IE) 2013-05-28 US disclosed
US-8450506-B2 Compounds and their salts specific to the PPAR receptors and the EGF Receptors and their use in the medical field NOGRA PHARMA LIMITED (IE) 2013-05-28 US disclosed
EP-1910275-B1 COMPOUNDS AND THEIR SALTS SPECIFIC TO THE PPAR RECEPTORS AND THE EGF RECEPTORS AND THEIR USE IN THE MEDICAL FIELD NOGRA PHARMA LTD (IE) 2013-02-13 EP disclosed
EP-1910275-B1 COMPOUNDS AND THEIR SALTS SPECIFIC TO THE PPAR RECEPTORS AND THE EGF RECEPTORS AND THEIR USE IN THE MEDICAL FIELD NOGRA PHARMA LTD (IE) 2013-02-13 EP disclosed
US-20120316230-A1 Compounds and their Salts Specific to the PPAR Receptors and the EGF Receptors and their Use in the Medical Field GIULIANI INTERNATIONAL LIMITED (IE) 2012-12-13 US disclosed
US-20120316230-A1 Compounds and their Salts Specific to the PPAR Receptors and the EGF Receptors and their Use in the Medical Field GIULIANI INTERNATIONAL LIMITED (IE) 2012-12-13 US disclosed
US-8138357-B2 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field GIULIANI INTERNATIONAL LIMITED (IE) 2012-03-20 US disclosed
US-8138357-B2 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field GIULIANI INTERNATIONAL LIMITED (IE) 2012-03-20 US disclosed
US-20090118357-A1 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field GIULIANI INTERNATIONAL LIMITED (IE) 2009-05-07 US disclosed
US-20090118357-A1 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field GIULIANI INTERNATIONAL LIMITED (IE) 2009-05-07 US disclosed
EP-1910275-A2 COMPOUNDS AND THEIR SALTS SPECIFIC TO THE PPAR RECEPTORS AND THE EGF RECEPTORS AND THEIR USE IN THE MEDICAL FIELD Giuliani International Limited (IE) 2008-04-16 EP disclosed
WO-2007010514-A2 COMPOUNDS AND THEIR SALTS SPECIFIC TO THE PPAR RECEPTORS AND THE EGF RECEPTORS AND THEIR USE IN THE MEDICAL FIELD GIULIANI INTERNATIONAL LIMITED (IE) 2007-01-25 WO disclosed
WO-2007010514-A2 COMPOUNDS AND THEIR SALTS SPECIFIC TO THE PPAR RECEPTORS AND THE EGF RECEPTORS AND THEIR USE IN THE MEDICAL FIELD GIULIANI INTERNATIONAL LIMITED (IE) 2007-01-25 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-20090118357-A1 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field EGFR, ERBB3, FGFR3 POLB 2759/4885KMT2A 4440/4885MEN1 3937/4885
US-20120316230-A1 Compounds and their Salts Specific to the PPAR Receptors and the EGF Receptors and their Use in the Medical Field EGFR, ERBB3, FGFR3 POLB 2742/4885KMT2A 4340/4885MEN1 3873/4885

“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.