SCHEMBL728206

SCHEMBL728206

COc1ccc([N+](=O)[O-])cc1C(=O)NO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
POLB P06746 3/20 0.57
NPC1 O15118 1/20 0.57
KCNMA1 Q12791 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
HTT P42858 3/20 0.54
PKM P14618 2/20 0.54
RORC P51449 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
RAB9A P51151 1/20 0.52
LMNA P02545 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
BLM P54132 1/20 0.50

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
SCHEMBL1531324 0.88 POLB (0.60) MEN1KMT2APOLBNPC1KCNMA1
SCHEMBL28933885 0.87 MEN1 (0.59) MEN1KMT2APOLBNPC1KCNMA1
SCHEMBL570064 0.84 TDP1 (0.57) MEN1KMT2APOLBNPC1KCNMA1
SCHEMBL728244 0.84 POLB (0.57) MEN1KMT2APOLBNPC1TDP1
SCHEMBL7598685 0.83 SMN1; SMN2 (0.53) MEN1KMT2APOLBNPC1KCNMA1
Zinc Ion SCHEMBL9192290 0.83 TDP1 (0.58) MEN1KMT2APOLBNPC1KCNMA1
SCHEMBL3884099 0.83 TDP1 (0.58) MEN1KMT2APOLBNPC1KCNMA1
SCHEMBL1671926 0.83 CTSV (0.60) MEN1KMT2APOLBTDP1HTT
SCHEMBL15486505 0.83 TDP1 (0.58) MEN1KMT2APOLBNPC1KCNMA1
SCHEMBL1671079 0.83 POLB (0.67) MEN1KMT2APOLBNPC1KCNMA1

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 15 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
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-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
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 MEN1 3937/4885KMT2A 4440/4885POLB 2759/4885
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 MEN1 3873/4885KMT2A 4340/4885POLB 2742/4885

“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.