SCHEMBL12267888

SCHEMBL12267888

C#CC(O)(CCCCCCC)c1cccc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SCN5A Q14524 3/20 0.59
▸ SCN9A Q15858 3/20 0.59
▸ EPHX1 P07099 3/20 0.39
▸ KIF11 P52732 1/20 0.38
▸ CYP19A1 P11511 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CHRM3 P20309 1/20 0.34

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
SCHEMBL15875035 0.82 CHRM2 (0.44) SCN5ASCN9AMEN1KMT2ACNR1
SCHEMBL9277669 0.82 CHRM2 (0.44) SCN5ASCN9AMEN1KMT2ACNR1
SCHEMBL12267924 0.77 SCN5A (0.65) SCN5ASCN9AEPHX1KIF11SMN1; SMN2
SCHEMBL9000665 0.76 CHRM2 (0.43) KIF11MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3359169 0.75 SCN5A (0.78) SCN5ASCN9AEPHX1KIF11EPHX2
SCHEMBL3359165 0.75 SCN5A (0.78) SCN5ASCN9AEPHX1KIF11EPHX2
SCHEMBL1712517 0.74 SCN5A (1.00) SCN5ASCN9AEPHX1KIF11EPHX2
SCHEMBL1712454 0.74 SCN5A (1.00) SCN5ASCN9AEPHX1KIF11EPHX2
SCHEMBL1712264 0.74 SCN5A (1.00) SCN5ASCN9AEPHX1KIF11EPHX2
SCHEMBL11492645 0.72 POLB (0.43) MEN1KMT2ASMN1; SMN2CNR2ALDH1A1

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-8816095-B2 Na channels, disease, and related assays and compositions GEORGETOWN UNIVERSITY (US) 2014-08-26 — — US disclosed
US-8816095-B2 Na channels, disease, and related assays and compositions GEORGETOWN UNIVERSITY (US) 2014-08-26 — — US disclosed
US-20110230442-A1 NA CHANNELS, DISEASE, AND RELATED ASSAYS AND COMPOSITIONS GEORGETOWN UNIVERSITY (US) 2011-09-22 — — US disclosed
US-20110230442-A1 NA CHANNELS, DISEASE, AND RELATED ASSAYS AND COMPOSITIONS GEORGETOWN UNIVERSITY (US) 2011-09-22 — — 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-20110230442-A1 NA CHANNELS, DISEASE, AND RELATED ASSAYS AND COMPOSITIONS CACNA1C, CACNA1B, CACNA1A SCN5A 48/4885SCN9A 51/4885EPHX1 1123/4885

“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.

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