SCHEMBL503266

SCHEMBL503266

Nc1ccc(Oc2cncc(Br)c2)cc1CNC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36

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
SCHEMBL502637 0.82 MAPT (0.41) SMN1; SMN2NPC1RAB9ALMNACYP1A2
SCHEMBL502639 0.82 MAPT (0.41) SMN1; SMN2NPC1RAB9ALMNACYP1A2
SCHEMBL3488176 0.78 TEAD4 (0.46) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL502767 0.77 SIRT2 (0.33) SIRT2SIRT1SIRT3
SCHEMBL3488380 0.77 RAF1 (0.44) SMN1; SMN2HTTKDM4E
SCHEMBL3488332 0.77 GCK (0.46) SMN1; SMN2CYP3A4HTT
SCHEMBL3488403 0.77 SMN1; SMN2 (0.42) SMN1; SMN2LMNAHTT
SCHEMBL502806 0.77 KCNQ3 (0.39) NPC1RAB9A
SCHEMBL3488807 0.76 SLC1A3 (0.45)
SCHEMBL3488269 0.76 EGLN1 (0.42) SMN1; SMN2HTT

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 SMN1; SMN2 3411/4885NPC1 216/4885RAB9A 1961/4885
US-20130045994-A1 PYRIDINE DERIVATIVE PPARD, PPARG, PPARA SMN1; SMN2 3411/4885NPC1 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.