SCHEMBL21580140

SCHEMBL21580140

O=C(NCc1ccc(OCc2ccccc2F)cc1)c1cccc2ncnn12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 2/20 0.51
▸ SCN9A Q15858 1/20 0.48
▸ MAOB P27338 5/20 0.46
▸ TP53 P04637 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ PARP15 Q460N3 1/20 0.44
▸ PARP14 Q460N5 1/20 0.44
▸ PARP10 Q53GL7 1/20 0.44
▸ LPAR1 Q92633 1/20 0.41
▸ LPAR5 Q9H1C0 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ PTPN2 P17706 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ CDC25B P30305 1/20 0.39
▸ RORC P51449 1/20 0.39

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
SCHEMBL21580037 0.90 EGLN2 (0.43) SCN3AMAOBTP53KDM4EALOX12
SCHEMBL21580083 0.89 MAOB (0.42) SCN3ASCN9AMAOBTP53PARP15
SCHEMBL21580103 0.85 SCN3A (0.50) SCN3ASCN9AMAOBTP53KDM4E
SCHEMBL21580097 0.80 SCN3A (0.51) SCN3ASCN9AMAOBTP53KDM4E
SCHEMBL21580141 0.80 SCN3A (0.48) SCN3ASCN9AMAOBTP53KDM4E
SCHEMBL21580133 0.78 SCN3A (0.49) SCN3ASCN9AMAOBTP53KDM4E
SCHEMBL23686571 0.77 ALDH2 (0.38) SCN3ATP53ALOX12SMN1; SMN2ALDH1A1
SCHEMBL21580138 0.77 SCN3A (0.49) SCN3ASCN9AMAOBTP53KDM4E
SCHEMBL21580118 0.77 SCN3A (0.49) SCN3ASCN9AMAOBTP53KDM4E
SCHEMBL21580166 0.76 L3MBTL1 (0.51) SCN3ASCN9AMAOBTP53KDM4E

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 SCN3A 46/4885SCN9A 190/4885MAOB 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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