SCHEMBL21580139

SCHEMBL21580139

COc1ncccc1C(=O)NCc1ccc(OCc2ccccc2F)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.61
▸ HPGD P15428 3/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ MAPK8 P45983 3/20 0.54
▸ SCN3A Q9NY46 1/20 0.52
▸ SCN9A Q15858 1/20 0.52
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ MAPT P10636 1/20 0.50

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
SCHEMBL21580172 0.89 HPGD (0.62) LMNAHPGDSMN1; SMN2MAPK8KMT2A
SCHEMBL30989915 0.86 LMNA (0.80) LMNAHPGDSMN1; SMN2MAPK8KMT2A
SCHEMBL1681273 0.85 SCN3A (0.56) LMNAHPGDSMN1; SMN2MAPK8SCN3A
SCHEMBL21580137 0.79 SCN3A (0.54) LMNASMN1; SMN2SCN3ASCN9AKMT2A
SCHEMBL18715343 0.79 HPGD (0.79) LMNAHPGDSMN1; SMN2MAPK8KMT2A
SCHEMBL8373056 0.79 HPGD (0.72) LMNAHPGDSMN1; SMN2MAPK8KMT2A
SCHEMBL21580115 0.78 SCN3A (0.50) LMNASCN3ASCN9AMAPT
SCHEMBL21580123 0.78 TSHR (0.57) LMNAHPGDSMN1; SMN2SCN3ASCN9A
SCHEMBL921387 0.78 RORC (0.61) LMNAHPGDSMN1; SMN2MAPK8KMT2A
SCHEMBL21580164 0.78 SCN3A (0.52) LMNAHPGDSMN1; SMN2SCN3ASCN9A

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 2438/4885HPGD 521/4885SMN1; SMN2 609/4885

“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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