SCHEMBL21580166

SCHEMBL21580166

Cc1cc(C(=O)NCc2ccc(OCc3ccccc3F)cc2)n(C)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ MAPT P10636 4/20 0.51
▸ SCN3A Q9NY46 1/20 0.51
▸ SCN9A Q15858 1/20 0.51
▸ KLKB1 P03952 1/20 0.49
▸ MAOB P27338 4/20 0.46
▸ PHGDH O43175 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PARP15 Q460N3 1/20 0.44
▸ PARP14 Q460N5 1/20 0.44
▸ PARP10 Q53GL7 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43

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
SCHEMBL23686715 0.82 SCN3A (0.53) SCN3ASCN9AKLKB1MAOBPARP15
SCHEMBL9198501 0.80 L3MBTL1 (0.58) L3MBTL1MAPTKLKB1PHGDHMEN1
SCHEMBL21580096 0.78 SCN3A (0.54) L3MBTL1SCN3ASCN9AMAOBMEN1
SCHEMBL23686705 0.78 ALDH1A1 (0.65) L3MBTL1SCN3ASCN9AMAOBPARP15
SCHEMBL21580116 0.78 SCN3A (0.51) SCN3ASCN9AKLKB1MAOBPARP15
SCHEMBL9195354 0.78 L3MBTL1 (0.64) L3MBTL1MAPTKLKB1PHGDHKMT2A
SCHEMBL21580164 0.77 SCN3A (0.52) L3MBTL1MAPTSCN3ASCN9AMAOB
SCHEMBL21580107 0.77 SCN3A (0.52) SCN3ASCN9AMAOBMEN1KMT2A
SCHEMBL21580133 0.77 SCN3A (0.49) SCN3ASCN9AMAOBPARP15PARP14
SCHEMBL21580097 0.76 SCN3A (0.51) 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 L3MBTL1 4102/4885MAPT 1498/4885SCN3A 46/4885

“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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