SCHEMBL12100712

SCHEMBL12100712

CNC(=O)c1ccc(O)c(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC2 Q92769 1/20 0.53
CA2 P00918 1/20 0.50
MAPT P10636 1/20 0.49
SNCA P37840 1/20 0.49
HSD17B3 P37058 1/20 0.48
ESR1 P03372 1/20 0.47
GCGR P47871 1/20 0.47
THRB P10828 1/20 0.46
PLAU P00749 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PLK1 P53350 3/20 0.44
ALOX15 P16050 1/20 0.43
TOP1 P11387 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
SCHEMBL22323667 0.85 HDAC6 (0.53) HDAC6HDAC8HDAC2CA2MAPT
SCHEMBL328702 0.82 HDAC6 (0.67) HDAC6HDAC8HDAC2CA2MAPT
SCHEMBL18329647 0.81 SMN1; SMN2 (0.61) HDAC6HDAC8HDAC2HPGDTSHR
SCHEMBL2648578 0.81 OGG1 (0.57) HDAC6CA2MAPTSNCAESR1
SCHEMBL3819667 0.79 HDAC6 (0.52) HDAC6HDAC8HDAC2CA2THRB
SCHEMBL4176796 0.79 HDAC8 (0.52) HDAC6HDAC8HDAC2CA2MAPT
SCHEMBL30362187 0.79 HDAC6 (0.52) HDAC6HDAC8HDAC2CA2THRB
SCHEMBL12218136 0.78 HDAC6 (0.50) HDAC6HDAC8HDAC2CA2ESR1
SCHEMBL985272 0.78 PKM (0.55) CA2MAPTESR1HTTSMN1; SMN2
SCHEMBL29748630 0.77 ALDH1A1 (0.53) HDAC6CA2MAPTSNCAESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2937344-B1 PYRIDINYL- AND PYRAZINYL -METHYLOXY - ARYL DERIVATIVES USEFUL AS INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) GLAXO GROUP LTD (GB) 2017-08-23 EP disclosed
EP-2937344-B1 PYRIDINYL- AND PYRAZINYL -METHYLOXY - ARYL DERIVATIVES USEFUL AS INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) GLAXO GROUP LTD (GB) 2017-08-23 EP disclosed
US-20160355505-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2016-12-08 US disclosed
US-20160355505-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2016-12-08 US disclosed
US-9447074-B2 Compounds GLAXO GROUP LIMITED (GB) 2016-09-20 US disclosed
US-9447074-B2 Compounds GLAXO GROUP LIMITED (GB) 2016-09-20 US disclosed
EP-2937344-A1 PYRIDINYL- AND PYRAZINYL -METHYLOXY - ARYL DERIVATIVES USEFUL AS INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) Glaxo Group Limited (GB) 2015-10-28 EP disclosed
EP-2937344-A1 PYRIDINYL- AND PYRAZINYL -METHYLOXY - ARYL DERIVATIVES USEFUL AS INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) Glaxo Group Limited (GB) 2015-10-28 EP disclosed
US-20150166508-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2015-06-18 US disclosed
US-20150166508-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2015-06-18 US disclosed
EP-2683709-B1 PYRIDINYL- AND PYRAZINYL-METHYLOXY-ARYL DERIVATIVES USEFUL AS INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) GLAXO GROUP LTD (GB) 2015-05-06 EP disclosed
EP-2683709-B1 PYRIDINYL- AND PYRAZINYL-METHYLOXY-ARYL DERIVATIVES USEFUL AS INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) GLAXO GROUP LTD (GB) 2015-05-06 EP disclosed
US-8993560-B2 Compounds GLAXO GROUP LIMITED (GB) 2015-03-31 US disclosed
US-8993560-B2 Compounds GLAXO GROUP LIMITED (GB) 2015-03-31 US disclosed
US-20140005177-A1 PYRIDINYL- AND PYRAZINYL-METHYLOXY-ARYL DERIVATIVES USEFUL AS INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) GLAXO GROUP LIMITED (GB) 2014-01-02 US disclosed
WO-2012123311-A1 PYRIDINYL- AND PYRAZINYL -METHYLOXY - ARYL DERIVATIVES USEFUL AS INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) GLAXO GROUP LIMITED (GB) 2012-09-20 WO disclosed
US-20120232061-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-09-13 US disclosed
US-20120232061-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-09-13 US 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-20150166508-A1 NOVEL COMPOUNDS SYK, NFATC1, BTK HDAC6 1202/4885HDAC8 2329/4885HDAC2 1069/4885
US-20140005177-A1 PYRIDINYL- AND PYRAZINYL-METHYLOXY-ARYL DERIVATIVES USEFUL AS INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) SYK, MERTK, LCK HDAC6 2196/4885HDAC8 2030/4885HDAC2 1278/4885
US-20120232061-A1 NOVEL COMPOUNDS SYK, NFATC1, BTK HDAC6 1202/4885HDAC8 2329/4885HDAC2 1069/4885
US-20160355505-A1 NOVEL COMPOUNDS SYK, NFATC1, BTK HDAC6 1202/4885HDAC8 2329/4885HDAC2 1069/4885

“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.