SCHEMBL3056162

SCHEMBL3056162

CC(=O)Nc1ccc(I)c(N)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.50
SCN2A Q99250 1/20 0.50
SCN3A Q9NY46 1/20 0.50
SCN10A Q9Y5Y9 1/20 0.50
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
PTK2 Q05397 1/20 0.42
TKT P29401 1/20 0.41
MAPK8 P45983 2/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 2/20 0.38
GAA P10253 2/20 0.38
ADORA3 P0DMS8 5/20 0.37
ADORA1 P30542 3/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ADORA2B P29275 1/20 0.37

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
SCHEMBL10397830 0.81 SCN9A (0.52) SCN9ASCN2ASCN3ASCN10AKDM4E
SCHEMBL10200326 0.80 KDM4E (0.46) SCN9ASCN2ASCN3ASCN10AKDM4E
SCHEMBL16631609 0.79 KDM4E (0.45) SCN9ASCN2ASCN3ASCN10AKDM4E
SCHEMBL31438597 0.79 KDM4E (0.45) SCN9ASCN2ASCN3ASCN10AKDM4E
SCHEMBL18153016 0.79 PTK2 (0.50) SCN9ASCN2ASCN3ASCN10AKDM4E
SCHEMBL31438491 0.79 PTK2 (0.50) SCN9ASCN2ASCN3ASCN10AKDM4E
SCHEMBL1721734 0.76 MAPK8 (0.45) SCN9ASCN2ASCN3ASCN10AKDM4E
SCHEMBL2019170 0.73 KDM4E (0.46) SCN9ASCN2ASCN3ASCN10AKDM4E
SCHEMBL263287 0.73 SCN10A (0.60) SCN9ASCN2ASCN3ASCN10AALDH1A1
SCHEMBL263720 0.71 SCN10A (0.46) SCN9ASCN10ACYP1A2ALDH1A1

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
EP-3283464-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
US-10081617-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-09-25 US disclosed
US-20180079743-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-22 US disclosed
EP-3283464-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-02-21 EP disclosed
WO-2016168098-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-20 WO disclosed
US-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
US-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO disclosed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 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 (6 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 SCN9A 2478/4885SCN2A 3026/4885SCN3A 2340/4885
US-20180079743-A1 FACTOR XIa INHIBITORS F11, F2, TFPI SCN9A 2056/4885SCN2A 3652/4885SCN3A 3377/4885
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SCN9A 3960/4885SCN2A 2464/4885SCN3A 1106/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SCN9A 3960/4885SCN2A 2464/4885SCN3A 1106/4885
US-10081617-B2 Factor XIa inhibitors F11, F2, TFPI SCN9A 2056/4885SCN2A 3652/4885SCN3A 3377/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SCN9A 3960/4885SCN2A 2464/4885SCN3A 1106/4885

“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.