SCHEMBL23344651

SCHEMBL23344651

O=C(NCc1cccnc1N1CCSCC1)c1cnnc(-c2ccc(OCC3CC3)c(Cl)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 8/20 0.49
SCN2A Q99250 7/20 0.49
KMO O15229 2/20 0.41
MALT1 Q9UDY8 5/20 0.40
RIPK1 Q13546 1/20 0.38
P2RX7 Q99572 1/20 0.37
GRM2 Q14416 2/20 0.36
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36

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
SCHEMBL23328029 0.93 SCN10A (0.57) SCN10ASCN2AKMOMALT1RIPK1
SCHEMBL23327964 0.93 SCN10A (0.58) SCN10ASCN2AKMOMALT1RIPK1
SCHEMBL30882099 0.93 SCN10A (0.58) SCN10ASCN2AKMOMALT1RIPK1
SCHEMBL23327955 0.91 SCN10A (0.59) SCN10ASCN2AKMOMALT1RIPK1
SCHEMBL30882100 0.91 SCN10A (0.59) SCN10ASCN2AKMOMALT1RIPK1
SCHEMBL23327909 0.89 SCN10A (0.56) SCN10ASCN2AKMOMALT1RIPK1
SCHEMBL23327899 0.89 SCN10A (0.57) SCN10ASCN2AKMOMALT1RIPK1
SCHEMBL23327968 0.88 SCN10A (0.46) SCN10ASCN2AKMOMALT1RIPK1
SCHEMBL23327960 0.87 SCN10A (0.48) SCN10ASCN2AKMOMALT1RIPK1
SCHEMBL23327932 0.87 SCN10A (0.47) SCN10ASCN2AKMOMALT1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 LIEBER INSTITUTE, INC 2021-05-13 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-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 SCN8A, SCN5A, SCN2A SCN10A 8/4885SCN2A 3/4885KMO 3017/4885

“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.