SCHEMBL21580096

SCHEMBL21580096

Cc1cccc(C(=O)NCc2ccc(OCc3ccccc3F)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 1/20 0.54
▸ SCN9A Q15858 1/20 0.53
▸ MAOB P27338 5/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ PARP15 Q460N3 1/20 0.46
▸ PARP14 Q460N5 1/20 0.46
▸ PARP10 Q53GL7 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MMP13 P45452 1/20 0.45
▸ TP53 P04637 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ L3MBTL1 Q9Y468 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
SCHEMBL23686705 0.85 ALDH1A1 (0.65) SCN3ASCN9AMAOBALDH1A1HPGD
SCHEMBL21580127 0.83 SCN3A (0.52) SCN3ASCN9AMAOBALDH1A1HPGD
SCHEMBL21580116 0.82 SCN3A (0.51) SCN3ASCN9AMAOBHPGDSMN1; SMN2
SCHEMBL21580107 0.81 SCN3A (0.52) SCN3ASCN9AMAOBALDH1A1HPGD
SCHEMBL21580134 0.80 SCN3A (0.55) SCN3ASCN9AMAOBALDH1A1SMN1; SMN2
SCHEMBL21580121 0.79 SCN3A (0.52) SCN3ASCN9AMAOBALDH1A1SMN1; SMN2
SCHEMBL21580129 0.79 SCN3A (0.52) SCN3ASCN9AMAOBALDH1A1SMN1; SMN2
SCHEMBL21580166 0.78 L3MBTL1 (0.51) SCN3ASCN9AMAOBALDH1A1HPGD
SCHEMBL21580128 0.78 SCN3A (0.50) SCN3ASCN9AMAOBALDH1A1HPGD
SCHEMBL21580111 0.78 SCN3A (0.50) SCN3ASCN9AMAOBALDH1A1SMN1; SMN2

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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