SCHEMBL502832

SCHEMBL502832

COc1ccc(COc2ccc(N)c(CNC(=O)O)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
SMPD1 P17405 1/20 0.48
FFAR1 O14842 5/20 0.48
PPARA Q07869 2/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
PLA2G4B P0C869 1/20 0.45
BCHE P06276 1/20 0.44
MAOB P27338 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL20957057 0.87 HSD17B10 (0.46) ALDH1A1MAPTHTT
SCHEMBL3488380 0.84 RAF1 (0.44) POLBSMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL15173947 0.81 MAOB (0.53) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL502666 0.81 PTPN1 (0.50) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL502664 0.81 PTPN1 (0.50) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3487614 0.79 SMN1; SMN2 (0.52) POLBSMN1; SMN2ALDH1A1MTNR1AMTNR1B
SCHEMBL3489383 0.78 ALDH1A1 (0.42) POLBSMN1; SMN2ALDH1A1MAPTMTNR1B
SCHEMBL3487573 0.77 MAPK14 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3716437 0.76 TAS1R3 (0.53) NPC1RAB9AALDH1A1FFAR1PPARA
SCHEMBL3488407 0.76 EGLN1 (0.39) SMN1; SMN2ALDH1A1MAPTKDM4E

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 POLB 4061/4885NPC1 216/4885RAB9A 1961/4885
US-20130045994-A1 PYRIDINE DERIVATIVE PPARD, PPARG, PPARA POLB 4061/4885NPC1 216/4885RAB9A 1961/4885

“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.