SCHEMBL502664

SCHEMBL502664

COc1ccc(COc2ccc([N+](=O)[O-])c(CNC(=O)O)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
HPGD P15428 2/20 0.48
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.45
TLR4 O00206 1/20 0.45
TLR2 O60603 1/20 0.45
SMPD1 P17405 1/20 0.45
MAOB P27338 1/20 0.44
FFAR1 O14842 1/20 0.44

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
SCHEMBL502666 1.00 PTPN1 (0.50) PTPN1KMT2AMEN1HPGDNPC1
SCHEMBL3488422 0.86 PTPN1 (0.48) PTPN1KMT2AMEN1HPGDNPC1
SCHEMBL3488427 0.86 PTPN1 (0.48) PTPN1KMT2AMEN1HPGDNPC1
SCHEMBL15173740 0.83 TLR4 (0.52) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL502832 0.81 POLB (0.50) NPC1POLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL3489725 0.81 PTPN1 (0.46) PTPN1KMT2AMEN1HPGDNPC1
SCHEMBL3489728 0.81 PTPN1 (0.46) PTPN1KMT2AMEN1HPGDNPC1
SCHEMBL3487920 0.80 PTPN1 (0.43) PTPN1KMT2AMEN1HPGDNPC1
SCHEMBL3487930 0.80 PTPN1 (0.43) PTPN1KMT2AMEN1HPGDNPC1
SCHEMBL503298 0.79 SLC2A1 (0.46) PTPN1KMT2AMEN1NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2404918-B1 PYRIDINE DERIVATIVE AS PPARY INHIBITOR DAIICHI SANKYO CO LTD (JP) 2016-11-30 EP disclosed
US-8946264-B2 Pyridine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-03 US disclosed
US-20130045994-A1 PYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-02-21 US disclosed
US-20120029026-A1 PYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-02 US disclosed
EP-2404918-A1 PYRIDINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-11 EP 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-20120029026-A1 PYRIDINE DERIVATIVE PPARD, PPARG, PPARA PTPN1 863/4885KMT2A 3426/4885MEN1 4140/4885
US-20130045994-A1 PYRIDINE DERIVATIVE PPARD, PPARG, PPARA PTPN1 863/4885KMT2A 3426/4885MEN1 4140/4885

“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.