SCHEMBL20445285

SCHEMBL20445285

COc1ccc(-c2nc(C)c(-c3ccccc3)[nH]2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.64
TP53 P04637 3/20 0.64
MAPK13 O15264 3/20 0.64
MAPK12 P53778 3/20 0.64
MAPK11 Q15759 3/20 0.64
MAPK14 Q16539 3/20 0.64
RAF1 P04049 2/20 0.64
KDM4E B2RXH2 6/20 0.60
ALDH1A1 P00352 5/20 0.60
HPGD P15428 4/20 0.60
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
CYP1A2 P05177 1/20 0.60
GLA P06280 1/20 0.60
GAA P10253 1/20 0.60
CYP2C19 P33261 1/20 0.60
GFER P55789 1/20 0.60
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59

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
Hydrochloric Acid SCHEMBL23736191 0.98 MAPT (0.63) MAPTTP53MAPK13MAPK12MAPK11
SCHEMBL11516210 0.87 MAPK13 (0.53) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL19868943 0.86 MAPK14 (0.67) MAPTTP53MAPK13MAPK12MAPK11
SCHEMBL1132001 0.84 MAPK13 (0.86) MAPTTP53MAPK13MAPK12MAPK11
SCHEMBL15400046 0.84 MAPK13 (0.86) MAPTTP53MAPK13MAPK12MAPK11
SCHEMBL8104080 0.84 MAPK13 (0.86) MAPTTP53MAPK13MAPK12MAPK11
SCHEMBL1308320 0.84 MAPK13 (0.86) MAPTTP53MAPK13MAPK12MAPK11
SCHEMBL7366314 0.84 MAPK13 (0.54) MAPTTP53MAPK13MAPK12MAPK11
SCHEMBL23758282 0.83 GAA (0.58) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL20425291 0.81 MAPK13 (0.60) MAPTTP53MAPK13MAPK12MAPK11

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
EP-3573957-B1 COMPOSITIONS AND METHODS FOR BLOCKING SODIUM CHANNELS RIVARA MIRKO (IT) 2023-04-26 EP disclosed
US-11090289-B2 Compositions and methods for blocking sodium channels UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2021-08-17 US disclosed
WO-2018140504-A1 COMPOSITIONS AND METHODS FOR BLOCKING SODIUM CHANNELS PATEL MANOJ K (US) 2018-08-02 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 (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-11090289-B2 Compositions and methods for blocking sodium channels SCN3A, SCN1B, SCN2B MAPT 183/4885TP53 4250/4885MAPK13 2204/4885

“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.