SCHEMBL21580100

SCHEMBL21580100

O=C(NCc1ccc(OCc2ccccc2F)cc1)c1cn2cccnc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 1/20 0.48
▸ SCN9A Q15858 1/20 0.46
▸ HDAC1 Q13547 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAOB P27338 5/20 0.42
▸ PARP15 Q460N3 1/20 0.42
▸ PARP14 Q460N5 1/20 0.42
▸ PARP10 Q53GL7 1/20 0.42
▸ TP53 P04637 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ PTPN1 P18031 2/20 0.40

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
SCHEMBL21580070 0.90 TP53 (0.42) HPGDKDM4EALDH1A1TP53MAPT
SCHEMBL21580151 0.90 TP53 (0.42) SCN3AHPGDKDM4EALDH1A1MAOB
SCHEMBL21580128 0.87 SCN3A (0.50) SCN3ASCN9AHPGDKDM4EALDH1A1
SCHEMBL21580101 0.83 SCN3A (0.47) SCN3ASCN9AHDAC1KDM4EMAOB
SCHEMBL21580118 0.80 SCN3A (0.49) SCN3ASCN9AHDAC1KDM4EMAOB
SCHEMBL21580116 0.80 SCN3A (0.51) SCN3ASCN9AHPGDKDM4EMAOB
SCHEMBL21580135 0.78 SCN3A (0.49) SCN3ASCN9AHDAC1KDM4EALDH1A1
SCHEMBL21580115 0.77 SCN3A (0.50) SCN3ASCN9AHDAC1KDM4EMAOB
SCHEMBL21580106 0.77 SCN3A (0.52) SCN3ASCN9AHDAC1HPGDKDM4E
SCHEMBL21580096 0.76 SCN3A (0.54) SCN3ASCN9AHDAC1HPGDKDM4E

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 190/4885HDAC1 1376/4885

“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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