SCHEMBL21580163

SCHEMBL21580163

CC(C)c1cc(C(=O)NCc2ccc(OCc3ccccc3F)cc2)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.54
▸ SCN3A Q9NY46 1/20 0.49
▸ MAOB P27338 5/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ PARP15 Q460N3 1/20 0.42
▸ PARP14 Q460N5 1/20 0.42
▸ PARP10 Q53GL7 1/20 0.42
▸ PTPN1 P18031 3/20 0.42
▸ PTPN2 P17706 2/20 0.42
▸ CDC25B P30305 2/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ MME P08473 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ KDM5A P29375 1/20 0.41
▸ ACACB O00763 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ LPAR1 Q92633 1/20 0.40

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
SCHEMBL21580121 0.77 SCN3A (0.52) SCN9ASCN3AMAOBSMN1; SMN2PARP15
SCHEMBL21580096 0.77 SCN3A (0.54) SCN9ASCN3AMAOBSMN1; SMN2POLB
SCHEMBL23686705 0.77 ALDH1A1 (0.65) SCN9ASCN3AMAOBSMN1; SMN2POLB
SCHEMBL21580134 0.76 SCN3A (0.55) SCN9ASCN3AMAOBSMN1; SMN2PARP15
SCHEMBL21580127 0.75 SCN3A (0.52) SCN9ASCN3AMAOBSMN1; SMN2POLB
SCHEMBL8935452 0.75 SCN9A (0.68) SCN9ASCN3AMAOBPARP15PARP14
SCHEMBL31206947 0.75 MME (0.49) SMN1; SMN2MMEKDM5A
SCHEMBL21580116 0.74 SCN3A (0.51) SCN9ASCN3AMAOBSMN1; SMN2PARP15
SCHEMBL21580126 0.74 SCN3A (0.56) SCN9ASCN3AMAOBSMN1; SMN2POLB
SCHEMBL8935432 0.73 SCN3A (0.66) SCN9ASCN3AMAOBSMN1; SMN2PARP15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210230157-A1 PAIN TREATING COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2021-07-29 — — US disclosed
WO-2019218024-A1 PAIN TREATING COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2019-11-21 — — 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-20210230157-A1 PAIN TREATING COMPOUNDS AND USES THEREOF TRPV1, TRPA1, TRPV3 SCN9A 190/4885SCN3A 46/4885MAOB 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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