SCHEMBL21580127

SCHEMBL21580127

Cc1nc(C(=O)NCc2ccc(OCc3ccccc3F)cc2)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 1/20 0.52
▸ SCN9A Q15858 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HIF1A Q16665 1/20 0.49
▸ CYP1A2 P05177 3/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ CYP2C9 P11712 3/20 0.48
▸ CYP2C19 P33261 3/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAOB P27338 4/20 0.47
▸ MAPT P10636 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TLR7 Q9NYK1 1/20 0.46
▸ PARP15 Q460N3 1/20 0.45
▸ PARP14 Q460N5 1/20 0.45
▸ PARP10 Q53GL7 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ MMP13 P45452 1/20 0.44

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
SCHEMBL21580111 0.86 SCN3A (0.50) SCN3ASCN9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL21580107 0.84 SCN3A (0.52) SCN3ASCN9ASMN1; SMN2MAOBPARP15
SCHEMBL21580096 0.83 SCN3A (0.54) SCN3ASCN9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL21580134 0.82 SCN3A (0.55) SCN3ASCN9ASMN1; SMN2HIF1AMAOB
SCHEMBL21580121 0.82 SCN3A (0.52) SCN3ASCN9ASMN1; SMN2MAOBPARP15
SCHEMBL23686705 0.81 ALDH1A1 (0.65) SCN3ASCN9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL21580116 0.81 SCN3A (0.51) SCN3ASCN9ASMN1; SMN2MAOBPARP15
SCHEMBL21580129 0.80 SCN3A (0.52) SCN3ASCN9ASMN1; SMN2MAOBPARP15
SCHEMBL21580149 0.78 SCN3A (0.50) SCN3ASCN9ASMN1; SMN2MAOBPARP15
SCHEMBL21580128 0.76 SCN3A (0.50) SCN3ASCN9ACYP1A2CYP3A4CYP2C19

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 190/4885SMN1; SMN2 609/4885

“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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