SCHEMBL21580113

SCHEMBL21580113

O=C(NCc1ccc(OCc2ccccc2F)cc1)c1cccn2nnnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 2/20 0.48
▸ SCN9A Q15858 1/20 0.46
▸ MAOB P27338 5/20 0.42
▸ PARP15 Q460N3 1/20 0.42
▸ PARP14 Q460N5 1/20 0.42
▸ PARP10 Q53GL7 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LPAR1 Q92633 1/20 0.40
▸ LPAR5 Q9H1C0 1/20 0.40
▸ NFKB1 P19838 1/20 0.39

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
SCHEMBL21580066 0.90 TP53 (0.47) SCN3ASMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL21580076 0.90 TP53 (0.42) SCN3AMAOBPARP15PARP14PARP10
SCHEMBL21580138 0.86 SCN3A (0.49) SCN3ASCN9AMAOBPARP15PARP14
SCHEMBL21580150 0.83 SCN3A (0.48) SCN3ASCN9AMAOBPARP15PARP14
SCHEMBL21580115 0.83 SCN3A (0.50) SCN3ASCN9AMAOBPARP15PARP14
SCHEMBL21580094 0.80 SCN3A (0.49) SCN3ASCN9AMAOBPARP15PARP14
SCHEMBL21580164 0.79 SCN3A (0.52) SCN3ASCN9AMAOBPARP15PARP14
SCHEMBL1681273 0.76 SCN3A (0.56) SCN3ASCN9AMAOBPARP15PARP14
SCHEMBL21580033 0.76 KDM4E (0.41) SCN3ASMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL21580082 0.76 KDM4E (0.43) SCN3AMAOBPARP15PARP14PARP10

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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