SCHEMBL1758435

SCHEMBL1758435

NC(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)nc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.63
LDHA P00338 1/20 0.55
HPGDS O60760 1/20 0.52
PARP15 Q460N3 3/20 0.51
PARP14 Q460N5 2/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
PARP16 Q8N5Y8 1/20 0.51
PARP11 Q9NR21 1/20 0.51
PARP4 Q9UKK3 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
SCN4A P35499 1/20 0.51
OPRM1 P35372 4/20 0.51
OPRD1 P41143 4/20 0.51
OPRK1 P41145 4/20 0.51
CHEK2 O96017 2/20 0.50
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
BAZ2B Q9UIF8 1/20 0.49
TNKS O95271 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
SCHEMBL1758258 0.86 LDHA (0.69) LDHAHPGDSALDH1A1RXFP1CHEK2
SCHEMBL29586559 0.86 LDHA (0.73) LDHAHPGDSALDH1A1RXFP1CHEK2
SCHEMBL1246554 0.86 LDHA (0.73) LDHAHPGDSALDH1A1RXFP1CHEK2
Hydrochloric Acid SCHEMBL5010814 0.84 LDHA (0.71) LDHAHPGDSALDH1A1RXFP1CHEK2
SCHEMBL27993361 0.83 PARP10 (0.64) PARP10PARP15PARP14ALDH1A1KMT2A
SCHEMBL29596790 0.83 RXFP1 (0.56) LDHAHPGDSALDH1A1KMT2ARXFP1
SCHEMBL1758177 0.82 RXFP1 (0.75) PARP10HPGDSPARP4RXFP1CHEK2
SCHEMBL1758392 0.79 PARP10 (0.66) PARP10HPGDSALDH1A1KMT2ARXFP1
SCHEMBL606429 0.79 PARP10 (1.00) PARP10PARP15PARP14ALDH1A1KMT2A
Terephthalamide SCHEMBL4205368 0.79 PARP10 (1.00) PARP10PARP15PARP14ALDH1A1KMT2A

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 15 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
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
CN-107226805-A Aromatic amides analog derivative, its preparation method and its in application pharmaceutically 北京天诚医药科技有限公司 2017-10-03 CN disclosed
CN-104341388-A Aromatic amide derivative as well as preparation method and medicinal application thereof SHANGHAI RUNNUO BIOTECHNOLOGY CO LTD 2015-02-11 CN disclosed
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-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 PARP10 2411/4885LDHA 162/4885HPGDS 3962/4885
US-20100048626-A1 Aryl Substituted Pyridines and the Use Thereof CACNA1S, CACNA1E, CACNA1C PARP10 2285/4885LDHA 194/4885HPGDS 4009/4885
US-20030055088-A1 Aryl substituted pyridines and the use thereof CACNA1S, CACNA1E, CACNA1D PARP10 3325/4885LDHA 164/4885HPGDS 3747/4885
US-20070010554-A1 Aryl substituted pyridines and the use thereof CACNA1S, CACNA1E, CACNA1C PARP10 2411/4885LDHA 162/4885HPGDS 3962/4885

“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.