SCHEMBL21580126

SCHEMBL21580126

O=C(NCc1ccc(OCc2ccccc2F)cc1)c1cn[nH]c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 1/20 0.56
▸ SCN9A Q15858 1/20 0.53
▸ MAOB P27338 5/20 0.51
▸ PARP15 Q460N3 1/20 0.51
▸ PARP14 Q460N5 1/20 0.51
▸ PARP10 Q53GL7 1/20 0.51
▸ ROCK2 O75116 2/20 0.48
▸ ROCK1 Q13464 2/20 0.48
▸ LPAR1 Q92633 1/20 0.47
▸ LPAR5 Q9H1C0 1/20 0.47
▸ RORC P51449 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 2/20 0.46
▸ ALOX12 P18054 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ PTPN2 P17706 1/20 0.45

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
SCHEMBL21580137 0.85 SCN3A (0.54) SCN3ASCN9AMAOBPARP15PARP14
SCHEMBL21580123 0.83 TSHR (0.57) SCN3ASCN9AMAOBPARP15PARP14
SCHEMBL21580161 0.80 SCN3A (0.53) SCN3ASCN9AMAOBPARP15PARP14
SCHEMBL21580105 0.79 NAMPT (0.59) SCN3ASCN9AMAOBPARP15PARP14
SCHEMBL23686705 0.78 ALDH1A1 (0.65) SCN3ASCN9AMAOBPARP15PARP14
SCHEMBL18741074 0.78 L3MBTL1 (0.61) ROCK2ROCK1LMNASMN1; SMN2MEN1
SCHEMBL4879445 0.78 ROCK2 (0.60) ROCK2ROCK1LMNASMN1; SMN2RAB9A
SCHEMBL13491432 0.77 EGLN1 (0.52) SCN3ASCN9AMAOBPARP15PARP14
SCHEMBL21580120 0.77 NAMPT (0.53) SCN3ASCN9AMAOBPARP15PARP14
SCHEMBL21580134 0.77 SCN3A (0.55) 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 190/4885MAOB 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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