SCHEMBL21580118

SCHEMBL21580118

O=C(NCc1ccc(OCc2ccccc2F)cc1)c1cn2ncccc2n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 2/20 0.49
▸ SCN9A Q15858 1/20 0.47
▸ TP53 P04637 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ MAOB P27338 5/20 0.42
▸ PARP15 Q460N3 1/20 0.42
▸ PARP14 Q460N5 1/20 0.42
▸ PARP10 Q53GL7 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ METTL3 Q86U44 1/20 0.41
▸ PTPN1 P18031 2/20 0.40
▸ LPAR1 Q92633 1/20 0.40
▸ LPAR5 Q9H1C0 1/20 0.40
▸ PTPN2 P17706 1/20 0.40
▸ CDC25B P30305 1/20 0.40
▸ ALKBH1 Q13686 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
SCHEMBL21580068 0.90 TP53 (0.42) SCN3ATP53KDM4EMETTL3PTPN1
SCHEMBL21580154 0.90 TP53 (0.43) SCN3ATP53MAOBPARP15PARP14
SCHEMBL21580128 0.85 SCN3A (0.50) SCN3ASCN9ATP53KDM4EALOX12
SCHEMBL21580101 0.82 SCN3A (0.47) SCN3ASCN9ATP53KDM4EALOX12
SCHEMBL21580116 0.80 SCN3A (0.51) SCN3ASCN9ATP53KDM4EALOX12
SCHEMBL21580100 0.80 SCN3A (0.48) SCN3ASCN9ATP53KDM4EALOX12
SCHEMBL21580096 0.77 SCN3A (0.54) SCN3ASCN9ATP53KDM4EALOX12
SCHEMBL21580140 0.77 SCN3A (0.51) SCN3ASCN9ATP53KDM4EALOX12
SCHEMBL21580134 0.76 SCN3A (0.55) SCN3ASCN9ATP53KDM4EALOX12
SCHEMBL21580123 0.76 TSHR (0.57) SCN3ASCN9AMAOBPARP15PARP14

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 190/4885TP53 4809/4885

“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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