SCHEMBL21580101

SCHEMBL21580101

O=C(NCc1ccc(OCc2ccccc2F)cc1)c1cn2ccncc2n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 1/20 0.47
▸ NAMPT P43490 2/20 0.46
▸ SCN9A Q15858 1/20 0.45
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ METTL3 Q86U44 1/20 0.41
▸ MAOB P27338 5/20 0.40
▸ PARP15 Q460N3 1/20 0.40
▸ PARP14 Q460N5 1/20 0.40
▸ PARP10 Q53GL7 1/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ SGMS2 Q8NHU3 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
SCHEMBL21580067 0.90 NAMPT (0.42) NAMPTRAB9AROCK1METTL3KDM4E
SCHEMBL21580152 0.90 TP53 (0.41) SCN3ARAB9AROCK1METTL3MAOB
SCHEMBL21580128 0.89 SCN3A (0.50) SCN3ASCN9ARAB9AGAAMETTL3
SCHEMBL21580100 0.83 SCN3A (0.48) SCN3ANAMPTSCN9ARAB9ASMN1; SMN2
SCHEMBL21580118 0.82 SCN3A (0.49) SCN3ASCN9ASMN1; SMN2GAAMETTL3
SCHEMBL21580058 0.79 NPC1 (0.48) RAB9AGAAMETTL3KDM4ETP53
SCHEMBL21580143 0.79 NPC1 (0.52) RAB9AGAAMETTL3MAOBKDM4E
SCHEMBL21580116 0.78 SCN3A (0.51) SCN3ASCN9ASMN1; SMN2GAAMAOB
SCHEMBL21580123 0.78 TSHR (0.57) SCN3ANAMPTSCN9ARAB9ASMN1; SMN2
SCHEMBL21580106 0.77 SCN3A (0.52) SCN3ANAMPTSCN9ASMN1; SMN2GAA

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 46/4885NAMPT 1188/4885SCN9A 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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