SCHEMBL21580132

SCHEMBL21580132

O=C(NCc1ccc(OCc2ccccc2F)cn1)c1cccn2cnnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ SCN3A Q9NY46 2/20 0.38
▸ MAOB P27338 3/20 0.38
▸ PARP15 Q460N3 2/20 0.38
▸ PARP10 Q53GL7 2/20 0.38
▸ ALKBH1 Q13686 1/20 0.38
▸ PARP14 Q460N5 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ SGMS2 Q8NHU3 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ RARA P10276 1/20 0.36
▸ RARB P10826 1/20 0.36
▸ RARG P13631 1/20 0.36
▸ GCK P35557 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35

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
SCHEMBL21580150 0.88 SCN3A (0.48) LMNAMAPTSCN3AMAOBPARP15
SCHEMBL23691881 0.87 LMNA (0.42) LMNAMAPTSCN3AMAOBPARP15
SCHEMBL21580057 0.84 TP53 (0.42) LMNASCN3AHPGDTSHRALDH1A1
SCHEMBL21580115 0.75 SCN3A (0.50) LMNAMAPTSCN3AMAOBPARP15
SCHEMBL21580078 0.74 LMNA (0.45) LMNAMAPTSCN3AMAOBPARP15
SCHEMBL21580094 0.74 SCN3A (0.49) LMNAMAPTSCN3AMAOBPARP15
SCHEMBL21580081 0.73 MAPT (0.43) LMNAMAPTSCN3AMAOBPARP15
SCHEMBL21580113 0.72 SCN3A (0.48) LMNAMAPTSCN3AMAOBPARP15
SCHEMBL23686573 0.71 PPARA (0.39) LMNAHPGDPKMKMT2A
SCHEMBL21580048 0.71 PARP10 (0.43) PARP15PARP10

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 LMNA 2438/4885MAPT 1498/4885SCN3A 46/4885

“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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