SCHEMBL17048606

SCHEMBL17048606

COc1ccc(CN(c2ncns2)S(=O)(=O)c2ccc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(Cl)c2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.42
KMT2A Q03164 2/20 0.37
SCN3A Q9NY46 2/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
MDM2 Q00987 1/20 0.36
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
HTR2A P28223 2/20 0.34
SLC6A4 P31645 2/20 0.34
KCNH2 Q12809 2/20 0.34
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL18882683 0.95 SCN9A (0.40) SCN9AKMT2ASCN3AHCRTR1HCRTR2
SCHEMBL17048544 0.91 SCN9A (0.42) SCN9AKMT2AMDM2GAAPTGS2
SCHEMBL17048525 0.90 SCN9A (0.43) SCN9ASCN3AMDM2GAAMAPT
SCHEMBL17048636 0.89 SLC22A12 (0.42) SCN9A
SCHEMBL18882676 0.87 SCN9A (0.40) SCN9AKMT2AMDM2GAAMAPT
SCHEMBL18882671 0.86 SCN9A (0.41) SCN9AGAAMAPTNPSR1ALDH1A1
SCHEMBL29669273 0.84 SCN9A (0.46) SCN9AKMT2AMAPTNPSR1HTR2A
SCHEMBL1095344 0.84 SCN9A (0.46) SCN9AKMT2AMAPTNPSR1HTR2A
SCHEMBL17048624 0.84 SCN9A (0.37) SCN9AGAA
SCHEMBL19631763 0.83 SCN9A (0.46) SCN9AKMT2AMAPTHTR2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236078-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2022-02-01 US disclosed
US-11236078-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2022-02-01 US disclosed
US-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL DeGiacomo, Mark G. (US) 2017-05-25 US disclosed
US-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL DeGiacomo, Mark G. (US) 2017-05-25 US disclosed
WO-2015130957-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL Zalicus Pharmaceuticals, Ltd. (US) 2015-09-03 WO disclosed
WO-2015130957-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL Zalicus Pharmaceuticals, Ltd. (US) 2015-09-03 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 (2 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-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, SCN1A, CACNA1S SCN9A 29/4885KMT2A 3063/4885SCN3A 33/4885
US-11236078-B2 Heterocyclic inhibitors of the sodium channel SCN1B, TRPM6, SCN1A SCN9A 32/4885KMT2A 3328/4885SCN3A 14/4885

“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.