SCHEMBL16020177

SCHEMBL16020177

COc1ccc(CN(c2ncns2)S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 2/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
VCAM1 P19320 1/20 0.36
NPSR1 Q6W5P4 3/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 3/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
BMP1 P13497 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CA2 P00918 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
SCHEMBL14699068 0.91 SCN9A (0.46) SCN9AALDH1A1MAPTPOLBMCOLN3
SCHEMBL19627592 0.87 SCN9A (0.43) SCN9AMAPTPOLBGAACNR1
SCHEMBL9923641 0.84 SCN9A (0.42) SCN9A
SCHEMBL15031959 0.82 SCN9A (0.45) SCN9AALDH1A1MAPTCNR1CNR2
SCHEMBL1109044 0.82 SCN9A (0.47) SCN9AALDH1A1MAPTPOLBGAA
SCHEMBL16522683 0.81 MAPT (0.38) SCN9AALDH1A1MAPTPOLBNPSR1
SCHEMBL21810729 0.81 LMNA (0.41) SCN9AALDH1A1MAPTPOLBMCOLN3
SCHEMBL9923645 0.81 SCN9A (0.38) SCN9AALDH1A1LMNACNR1CNR2
SCHEMBL15202462 0.80 SCN9A (0.53) SCN9AALDH1A1MAPTNPSR1LMNA
SCHEMBL16109346 0.80 SCN9A (0.48) SCN9AALDH1A1MAPTPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346798-B2 Dihydrobenzoxazine and tetrahydroquinoxaline sodium channel inhibitors AMGEN INC. (US) 2016-05-24 US disclosed
US-9079902-B2 Heteroaryl sodium channel inhibitors AMGEN INC. (US) 2015-07-14 US disclosed
US-20150057271-A1 DIHYDROBENZOXAZINE AND TETRAHYDROQUINOXALINE SODIUM CHANNEL INHIBITORS AMGEN INC. 2015-02-26 US disclosed
US-20140256707-A1 Heteroaryl Sodium Channel Inhibitors AMGEN INC. (US) 2014-09-11 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 (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-20150057271-A1 DIHYDROBENZOXAZINE AND TETRAHYDROQUINOXALINE SODIUM CHANNEL INHIBITORS SCN5A, KCNH1, KCNQ5 SCN9A 83/4885ALDH1A1 1242/4885MAPT 3220/4885
US-20140256707-A1 Heteroaryl Sodium Channel Inhibitors SCN1A, SCN5A, SCN1B SCN9A 13/4885ALDH1A1 1377/4885MAPT 3233/4885

“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.