SCHEMBL3799780

SCHEMBL3799780

O=[N+]([O-])c1cnc(Oc2cc3ccccc3cn2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
PIN1 Q13526 7/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
LMNA P02545 4/20 0.40
RAB9A P51151 3/20 0.40
HTT P42858 2/20 0.40
HSPB1 P04792 1/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
NPC1 O15118 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 0.37
APEX1 P27695 1/20 0.37

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
SCHEMBL20551078 0.81 HTT (0.61) ALDH1A1PIN1KMT2AMEN1LMNA
SCHEMBL3802331 0.80 ALDH1A1 (0.62) ALDH1A1PIN1KMT2AMEN1LMNA
SCHEMBL10993231 0.79 PIN1 (0.61) ALDH1A1PIN1KMT2AMEN1LMNA
SCHEMBL10675736 0.77 LMNA (0.42) ALDH1A1PIN1KMT2AMEN1LMNA
SCHEMBL3802333 0.77 PDPK1 (0.42) ALDH1A1KMT2AMEN1LMNARAB9A
SCHEMBL3820841 0.76 ALDH1A1 (0.52) ALDH1A1PIN1KMT2AMEN1LMNA
SCHEMBL11190542 0.76 LMNA (0.51) PIN1KMT2AMEN1LMNARAB9A
SCHEMBL3822283 0.76 ALDH1A1 (0.49) ALDH1A1PIN1KMT2AMEN1LMNA
SCHEMBL10855655 0.75 MAPK1 (0.62) ALDH1A1PIN1KMT2AMEN1LMNA
SCHEMBL10994648 0.74 MAPT (0.48) ALDH1A1PIN1KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013117963-A1 STABLE ORAL TABLET DOSAGE FORM OF AN ANTIDIABETIC COMPOUND Piramal Enterprises Limited (IN) 2013-08-15 WO disclosed
WO-2013117963-A1 STABLE ORAL TABLET DOSAGE FORM OF AN ANTIDIABETIC COMPOUND Piramal Enterprises Limited (IN) 2013-08-15 WO disclosed
US-20130040988-A1 3-AMINO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS Piramal Enterprises Limited (IN) 2013-02-14 US disclosed
US-20120309786-A1 3-AMINO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS Piramal Enterprises Limited (IN) 2012-12-06 US disclosed
US-8269010-B2 3-amino-pyridine derivatives for the treatment of metabolic disorders PIRAMAL HEALTHCARE LIMITED (IN) 2012-09-18 US disclosed
EP-2064545-B1 METHOD FOR IDENTIFYING COMPOUNDS THAT ACT AS INSULIN-SENSITIZERS PIRAMAL LIFE SCIENCES LTD (IN) 2012-07-04 EP disclosed
EP-2256496-A2 Method for identifying compounds that act as insulin-sensitizers Piramal Life Sciences Limited (IN) 2010-12-01 EP disclosed
US-20090318465-A1 METHOD FOR IDENTIFYING COMPOUNDS THAT ACT AS INSULIN-SENSITIZERS Piramal Enterprises Limited (IN) 2009-12-24 US disclosed
US-20090247574-A1 3-AMINO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS Piramal Enterprises Limited (IN) 2009-10-01 US disclosed
EP-2094687-A1 3 -AMINO- PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS Piramal Life Sciences Limited (IN) 2009-09-02 EP disclosed
EP-2064545-A2 METHOD FOR IDENTIFYING COMPOUNDS THAT ACT AS INSULIN-SENSITIZERS Piramal Life Sciences Limited (IN) 2009-06-03 EP disclosed
WO-2008035309-A2 METHOD FOR IDENTIFYING COMPOUNDS THAT ACT AS INSULIN-SENSITIZERS PIRAMAL LIFE SCIENCES LIMITED (IN) 2008-03-27 WO disclosed
WO-2008035306-A1 3 -AMINO- PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS PIRAMAL LIFE SCIENCES LIMITED (IN) 2008-03-27 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 (4 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-20130040988-A1 3-AMINO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS GPR119, ABAT, GOT2 ALDH1A1 923/4885PIN1 3212/4885KMT2A 2850/4885
US-20120309786-A1 3-AMINO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS GPR119, ABAT, PYGL ALDH1A1 979/4885PIN1 2886/4885KMT2A 2824/4885
US-20090318465-A1 METHOD FOR IDENTIFYING COMPOUNDS THAT ACT AS INSULIN-SENSITIZERS GPR119, SLC2A4, INSR ALDH1A1 1184/4885PIN1 419/4885KMT2A 3907/4885
US-20090247574-A1 3-AMINO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS GPR119, ABAT, PDXK ALDH1A1 1121/4885PIN1 2937/4885KMT2A 2542/4885

“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.