SCHEMBL23686573

SCHEMBL23686573

CC(C)(Oc1ccc(CNC(=O)c2cccn3cnnc23)cc1)c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.39
▸ HPGD P15428 3/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ PDE2A O00408 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.37
▸ MLLT1 Q03111 2/20 0.36
▸ KLKB1 P03952 1/20 0.36
▸ MLLT3 P42568 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36

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
SCHEMBL21580145 0.91 PPARG (0.41) PPARAHPGDPPARDKMT2A
SCHEMBL23686674 0.86 PPARA (0.42) PPARAHPGDPPARDPDE2ALMNA
SCHEMBL21580148 0.85 KDM4E (0.43) PPARAHPGDPPARDPDE2ALMNA
SCHEMBL21580150 0.81 SCN3A (0.48) HPGDLMNAPKM
SCHEMBL21580050 0.77 HPGD (0.42) PPARAHPGDPPARDKMT2A
SCHEMBL21580057 0.73 TP53 (0.42) HPGDLMNAKMT2A
SCHEMBL21580095 0.73 NAMPT (0.49) PPARAHPGDLMNAEPHX2NR1H4
SCHEMBL23691881 0.73 LMNA (0.42) HPGDLMNAKLKB1KMT2A
SCHEMBL21580110 0.72 SRC (0.40) HPGDLMNAMLLT1MLLT3
SCHEMBL21580109 0.72 SRC (0.41) MLLT1MLLT3

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 1044/4885HPGD 521/4885PPARD 1699/4885

“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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