SCHEMBL21580164

SCHEMBL21580164

Cn1cccc(C(=O)NCc2ccc(OCc3ccccc3F)cc2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 1/20 0.52
▸ LIPG Q9Y5X9 1/20 0.52
▸ SCN9A Q15858 1/20 0.52
▸ MAOB P27338 5/20 0.47
▸ PARP15 Q460N3 1/20 0.45
▸ PARP14 Q460N5 1/20 0.45
▸ PARP10 Q53GL7 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 3/20 0.43
▸ MAPT P10636 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ PLA2G1B P04054 1/20 0.42

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
SCHEMBL21580071 0.89 LIPG (0.47) LIPGPARP15PARP10ALDH1A1LMNA
SCHEMBL21580146 0.89 PARP15 (0.45) SCN3ALIPGSCN9AMAOBPARP15
SCHEMBL21580136 0.81 SCN3A (0.51) SCN3ALIPGSCN9AMAOBPARP15
SCHEMBL21580115 0.80 SCN3A (0.50) SCN3ASCN9AMAOBPARP15PARP14
SCHEMBL21580094 0.79 SCN3A (0.49) SCN3ASCN9AMAOBPARP15PARP14
SCHEMBL21580138 0.79 SCN3A (0.49) SCN3ASCN9AMAOBPARP15PARP14
SCHEMBL21580113 0.79 SCN3A (0.48) SCN3ASCN9AMAOBPARP15PARP14
SCHEMBL21580150 0.79 SCN3A (0.48) SCN3ASCN9AMAOBPARP15PARP14
SCHEMBL21580139 0.78 LMNA (0.61) SCN3ASCN9ALMNAMAPTHPGD
SCHEMBL1681273 0.77 SCN3A (0.56) 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 46/4885LIPG 3155/4885SCN9A 190/4885

“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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