SCHEMBL21580137

SCHEMBL21580137

COc1ncc(C(=O)NCc2ccc(OCc3ccccc3F)cc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 1/20 0.54
▸ SCN9A Q15858 1/20 0.53
▸ RORC P51449 1/20 0.52
▸ MAOB P27338 4/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ PARP15 Q460N3 1/20 0.49
▸ PARP14 Q460N5 1/20 0.49
▸ PARP10 Q53GL7 1/20 0.49
▸ HPGDS O60760 1/20 0.47
▸ STAMBP O95630 1/20 0.47
▸ COPS5 Q92905 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ LPAR1 Q92633 1/20 0.46
▸ LPAR5 Q9H1C0 1/20 0.46

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
SCHEMBL21580126 0.85 SCN3A (0.56) SCN3ASCN9ARORCMAOBSMN1; SMN2
SCHEMBL21580123 0.82 TSHR (0.57) SCN3ASCN9AMAOBSMN1; SMN2GAA
SCHEMBL21580139 0.79 LMNA (0.61) SCN3ASCN9ASMN1; SMN2LMNAMEN1
SCHEMBL23686705 0.79 ALDH1A1 (0.65) SCN3ASCN9AMAOBSMN1; SMN2GAA
SCHEMBL21580105 0.77 NAMPT (0.59) SCN3ASCN9ARORCMAOBSMN1; SMN2
SCHEMBL21580096 0.77 SCN3A (0.54) SCN3ASCN9AMAOBSMN1; SMN2GAA
SCHEMBL21580136 0.76 SCN3A (0.51) SCN3ASCN9ARORCMAOBSMN1; SMN2
SCHEMBL21580161 0.76 SCN3A (0.53) SCN3ASCN9ARORCMAOBSMN1; SMN2
SCHEMBL23686715 0.76 SCN3A (0.53) SCN3ASCN9ARORCMAOBSMN1; SMN2
SCHEMBL13491432 0.76 EGLN1 (0.52) SCN3ASCN9AMAOBLMNAPARP15

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 190/4885RORC 1137/4885

“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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