SCHEMBL21580145

SCHEMBL21580145

CC(C)(Oc1cccc(CNC(=O)c2cccn3cnnc23)c1)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 7/20 0.41
▸ PPARD Q03181 7/20 0.41
▸ PPARA Q07869 7/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ RAB9A P51151 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ GLS O94925 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL23686573 0.91 PPARA (0.39) PPARDPPARAHPGDKMT2A
SCHEMBL21580050 0.87 HPGD (0.42) PPARGPPARDPPARAHPGDKDM4E
SCHEMBL21580057 0.82 TP53 (0.42) HPGDKDM4EUSP2ALDH1A1RAB9A
SCHEMBL23686674 0.77 PPARA (0.42) PPARDPPARAHPGD
SCHEMBL21580148 0.76 KDM4E (0.43) PPARDPPARAHPGDKDM4EALDH1A1
SCHEMBL21580062 0.75 NAMPT (0.47) MAPK14ROCK2ROCK1
SCHEMBL21580150 0.73 SCN3A (0.48) HPGDKDM4EALDH1A1MAPT
SCHEMBL21580056 0.73 SIRT2 (0.44) HPGDKDM4EUSP2ALDH1A1KMT2A
SCHEMBL23691881 0.71 LMNA (0.42) HPGDKDM4EALDH1A1MAPTKMT2A
SCHEMBL23691868 0.69 HPGD (0.42) HPGDKDM4EUSP2ALDH1A1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11384085-B2 Modulators of ion channel receptors and uses thereof BIONOMICS LIMITED (AU) 2022-07-12 — — US disclosed
US-20210230165-A1 MODULATORS OF ION CHANNEL RECEPTORS AND USES THEREOF BIONOMICS LIMITED (AU) 2021-07-29 — — US disclosed
WO-2019218025-A1 MODULATORS OF ION CHANNEL RECEPTORS 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 (2 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-20210230165-A1 MODULATORS OF ION CHANNEL RECEPTORS AND USES THEREOF TRPV1, TRPM8, TRPV2 PPARG 1488/4885PPARD 1350/4885PPARA 1643/4885
US-11384085-B2 Modulators of ion channel receptors and uses thereof TRPV1, TRPM8, TRPV2 PPARG 1488/4885PPARD 1350/4885PPARA 1643/4885

“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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