SCHEMBL1758258

SCHEMBL1758258

NC(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)nc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.69
HPGDS O60760 2/20 0.63
BAZ2B Q9UIF8 1/20 0.59
MKNK1 Q9BUB5 4/20 0.58
MKNK2 Q9HBH9 3/20 0.58
FYN P06241 1/20 0.56
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
CHEK2 O96017 1/20 0.54
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL1246554 0.96 LDHA (0.73) LDHAHPGDSBAZ2BMKNK1MKNK2
SCHEMBL29586559 0.96 LDHA (0.73) LDHAHPGDSBAZ2BMKNK1MKNK2
Hydrochloric Acid SCHEMBL5010814 0.95 LDHA (0.71) LDHAHPGDSBAZ2BMKNK1MKNK2
SCHEMBL1758435 0.86 PARP10 (0.63) LDHAHPGDSBAZ2BFYNCYP11B1
SCHEMBL1758318 0.83 HPGDS (0.56) LDHAHPGDSBAZ2BMKNK1MKNK2
SCHEMBL12647420 0.83 HPGDS (0.55) LDHAHPGDSBAZ2BMKNK1MKNK2
SCHEMBL5658059 0.83 RXFP1 (0.73) LDHAHPGDSBAZ2BMKNK1MKNK2
SCHEMBL11009430 0.83 MAP4K4 (0.60) LDHAHPGDSMKNK1MKNK2NPC1
SCHEMBL505455 0.82 LDHA (1.00) LDHAHPGDSBAZ2BNPC1SMN1; SMN2
SCHEMBL27584594 0.82 LDHA (0.79) LDHAHPGDSBAZ2BCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943643-B2 Aryl substituted pyridines and the use thereof PURDUE PHARMA L.P. (US) 2011-05-17 US claimed
US-20100048626-A1 Aryl Substituted Pyridines and the Use Thereof PURDUE PHARMA L.P. 2010-02-25 US claimed
US-20080194627-A9 Aryl substituted pyridines and the use thereof EURO-CELTIQUE S.A. (LU) 2008-08-14 US claimed
US-20070010554-A1 Aryl substituted pyridines and the use thereof EURO-CELTIQUE S.A. (LU) 2007-01-11 US claimed
EP-1432419-A1 ARYL SUBSTITUTED PYRIDINECARBOXAMIDES AND THEIR USE AS SODIUM CHANNEL BLOCKERS Euro-Celtique S.A. (LU) 2004-06-30 EP claimed
US-20030055088-A1 Aryl substituted pyridines and the use thereof EURO-CELTIQUE S.A. 2003-03-20 US claimed
WO-2003022276-A1 ARYL SUBSTITUTED PYRIDINECARBOXAMIDES AND THEIR USE AS SODIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2003-03-20 WO 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-7579367-B2 Aryl substituted pyridines and the use thereof PURDUE PHARMA L.P. (US) 2009-08-25 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 LDHA 162/4885HPGDS 3962/4885BAZ2B 3456/4885
US-20100048626-A1 Aryl Substituted Pyridines and the Use Thereof CACNA1S, CACNA1E, CACNA1C LDHA 194/4885HPGDS 4009/4885BAZ2B 3372/4885
US-20030055088-A1 Aryl substituted pyridines and the use thereof CACNA1S, CACNA1E, CACNA1D LDHA 164/4885HPGDS 3747/4885BAZ2B 3800/4885
US-20070010554-A1 Aryl substituted pyridines and the use thereof CACNA1S, CACNA1E, CACNA1C LDHA 162/4885HPGDS 3962/4885BAZ2B 3456/4885

“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.