SCHEMBL1758508

SCHEMBL1758508

NC(=O)c1cncc(-c2ccc(Oc3ccccc3)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 6/20 0.63
MKNK2 Q9HBH9 6/20 0.63
CYP11B2 P19099 2/20 0.59
CYP11B1 P15538 1/20 0.59
PARP10 Q53GL7 2/20 0.58
SIRT2 Q8IXJ6 3/20 0.58
SIRT3 Q9NTG7 3/20 0.58
SIRT1 Q96EB6 2/20 0.58
MAP4K4 O95819 3/20 0.57
XDH P47989 1/20 0.51
SLC22A12 Q96S37 1/20 0.51
CHEK2 O96017 2/20 0.50
DGAT1 O75907 1/20 0.49
TNKS O95271 1/20 0.49
PARP15 Q460N3 1/20 0.49
PARP14 Q460N5 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
PARP2 Q9UGN5 1/20 0.49

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
SCHEMBL28281436 0.86 SIRT2 (0.76) MKNK1MKNK2PARP10SIRT2SIRT3
SCHEMBL2488476 0.86 MKNK1 (0.77) MKNK1MKNK2CYP11B2CYP11B1SIRT2
SCHEMBL3711432 0.83 HDAC8 (0.56) MKNK1MKNK2XDHSLC22A12
SCHEMBL3713278 0.83 CYP11B1 (0.64) MKNK1MKNK2CYP11B2CYP11B1MAP4K4
SCHEMBL1758530 0.82 MAP4K4 (0.83) MKNK1MKNK2CYP11B2CYP11B1PARP10
SCHEMBL29870407 0.82 MAP4K4 (0.83) MKNK1MKNK2CYP11B2CYP11B1PARP10
SCHEMBL27986242 0.80 MKNK1 (0.87) MKNK1MKNK2CYP11B2CYP11B1MAP4K4
SCHEMBL1758325 0.79 CYP11B2 (0.70) MKNK1MKNK2CYP11B2CYP11B1SIRT2
SCHEMBL13741926 0.79 SCN2A (0.55) XDHSLC22A12
SCHEMBL6754398 0.79 MKNK1 (0.67) MKNK1MKNK2CYP11B2CYP11B1SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105549-B2 Aryl substituted pyridines and the use thereof EURO-CELTIQUE S.A. (LU) 2006-09-12 US claimed
US-20030055088-A1 Aryl substituted pyridines and the use thereof EURO-CELTIQUE S.A. 2003-03-20 US claimed
US-7943643-B2 Aryl substituted pyridines and the use thereof PURDUE PHARMA L.P. (US) 2011-05-17 US disclosed
US-20100048626-A1 Aryl Substituted Pyridines and the Use Thereof PURDUE PHARMA L.P. 2010-02-25 US disclosed
US-20100048626-A1 Aryl Substituted Pyridines and the Use Thereof PURDUE PHARMA L.P. 2010-02-25 US disclosed
US-7579367-B2 Aryl substituted pyridines and the use thereof PURDUE PHARMA L.P. (US) 2009-08-25 US disclosed
US-20080194627-A9 Aryl substituted pyridines and the use thereof EURO-CELTIQUE S.A. (LU) 2008-08-14 US disclosed
US-20070010554-A1 Aryl substituted pyridines and the use thereof EURO-CELTIQUE S.A. (LU) 2007-01-11 US disclosed
US-7105549-B2 Aryl substituted pyridines and the use thereof EURO-CELTIQUE S.A. (LU) 2006-09-12 US disclosed
EP-1432419-A1 ARYL SUBSTITUTED PYRIDINECARBOXAMIDES AND THEIR USE AS SODIUM CHANNEL BLOCKERS Euro-Celtique S.A. (LU) 2004-06-30 EP disclosed
US-20030055088-A1 Aryl substituted pyridines and the use thereof EURO-CELTIQUE S.A. 2003-03-20 US disclosed
WO-2003022276-A1 ARYL SUBSTITUTED PYRIDINECARBOXAMIDES AND THEIR USE AS SODIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2003-03-20 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-20080194627-A9 Aryl substituted pyridines and the use thereof CACNA1S, CACNA1E, CACNA1C MKNK1 4472/4885MKNK2 4569/4885CYP11B2 1341/4885
US-20100048626-A1 Aryl Substituted Pyridines and the Use Thereof CACNA1S, CACNA1E, CACNA1C MKNK1 4532/4885MKNK2 4591/4885CYP11B2 1486/4885
US-20030055088-A1 Aryl substituted pyridines and the use thereof CACNA1S, CACNA1E, CACNA1D MKNK1 4334/4885MKNK2 4509/4885CYP11B2 1609/4885
US-20070010554-A1 Aryl substituted pyridines and the use thereof CACNA1S, CACNA1E, CACNA1C MKNK1 4472/4885MKNK2 4569/4885CYP11B2 1341/4885

“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.