SCHEMBL23686674

SCHEMBL23686674

CC(C)(Oc1ccc(CNC(=O)c2cccn3ccnc23)cc1)c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.42
▸ HDAC6 Q9UBN7 4/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ PDE2A O00408 1/20 0.41
▸ EGLN1 Q9GZT9 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL21580050 0.90 HPGD (0.42) PPARAHPGDPPARD
SCHEMBL23686573 0.86 PPARA (0.39) PPARAPDE2AEGLN1HPGDPPARD
SCHEMBL21580148 0.86 KDM4E (0.43) PPARAHDAC1PDE2AEGLN1HPGD
SCHEMBL21580115 0.81 SCN3A (0.50) HDAC6HDAC1LMNA
SCHEMBL21580095 0.81 NAMPT (0.49) PPARAHDAC1HPGDLMNASMN1; SMN2
SCHEMBL21580145 0.77 PPARG (0.41) PPARAHPGDPPARD
SCHEMBL23691868 0.73 HPGD (0.42) HDAC6HDAC1HPGDLMNA
SCHEMBL21580078 0.73 LMNA (0.45) HPGDLMNA
SCHEMBL21580062 0.73 NAMPT (0.47) HDAC1LMNASMN1; SMN2
SCHEMBL21580106 0.69 SCN3A (0.52) HDAC1HPGDLMNASMN1; SMN2

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 1 patent. 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

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 PPARA 1044/4885HDAC6 315/4885HDAC1 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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