SCHEMBL2979165

SCHEMBL2979165

NC(CCNCc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)c1nsc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.39
DRD2 P14416 2/20 0.37
HTR2A P28223 2/20 0.37
HTR7 P34969 2/20 0.37
HTR6 P50406 2/20 0.37
SCN10A Q9Y5Y9 2/20 0.35
MAPT P10636 3/20 0.34
SCN9A Q15858 2/20 0.34
PLA2G1B P04054 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34
AVPR1B P47901 1/20 0.34
KDM1A O60341 1/20 0.33
HTR2C P28335 1/20 0.33
PTGER4 P35408 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 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
SCHEMBL2969567 0.87 KMT2A (0.43) HTR7HTR6SMN1; SMN2LMNATP53
SCHEMBL2969582 0.80 EPAS1 (0.41) MAPTLMNATP53
SCHEMBL2977398 0.80 KMT2A (0.41) MAPTLMNATP53
SCHEMBL2977514 0.79 CASR (0.41) HTR2AHTR7HTR6MAPTSMN1; SMN2
SCHEMBL13202724 0.78 SCN8A (0.44) SCN8ADRD2HTR2AHTR7HTR6
SCHEMBL2977053 0.77 S1PR1 (0.41)
SCHEMBL2968869 0.77 MAPK1 (0.41) HTR2AHTR7HTR6MAPTSMN1; SMN2
SCHEMBL2972570 0.76 MPO (0.41) SCN8AMAPT
SCHEMBL2978835 0.75 EPAS1 (0.41) SCN8AHTR7MAPTSMN1; SMN2TP53
SCHEMBL2977238 0.75 CHRM2 (0.47) SCN8AHTR2AMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US claimed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 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 (1 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-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection HAVCR2, ZC3HAV1, MAVS SCN8A 4762/4885DRD2 4534/4885HTR2A 4571/4885

“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.