SCHEMBL21580072

SCHEMBL21580072

O=C(NCc1cc(OCc2ccccc2F)ccc1F)c1ccc2ncnn2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ MAOB P27338 3/20 0.45
▸ PARP15 Q460N3 1/20 0.45
▸ PARP14 Q460N5 1/20 0.45
▸ PARP10 Q53GL7 1/20 0.45
▸ RIPK1 Q13546 4/20 0.43
▸ NAMPT P43490 1/20 0.42
▸ RARA P10276 1/20 0.42
▸ RARB P10826 1/20 0.42
▸ RARG P13631 1/20 0.42
▸ GCK P35557 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ALKBH1 Q13686 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ SPHK2 Q9NRA0 1/20 0.40
▸ PTPN2 P17706 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ CDC25B P30305 1/20 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
SCHEMBL21580041 0.89 NAMPT (0.45) LMNAHPGDMAOBPARP15PARP14
SCHEMBL21580075 0.88 HPGD (0.42) LMNAHPGDMAOBPARP15PARP14
SCHEMBL21580088 0.82 MLLT1 (0.55) LMNAHPGDMAOBPARP15PARP14
SCHEMBL21580083 0.82 MAOB (0.42) LMNAHPGDMAOBPARP15PARP14
SCHEMBL21580154 0.80 TP53 (0.43) LMNAHPGDMAOBPARP15PARP14
SCHEMBL21580082 0.80 KDM4E (0.43) LMNAHPGDMAOBPARP15PARP14
SCHEMBL23691878 0.78 HPGD (0.42) LMNAHPGDMAOBPARP15PARP14
SCHEMBL21580086 0.78 HDAC1 (0.48) LMNAHPGDMAOBPARP15PARP14
SCHEMBL21580141 0.78 SCN3A (0.48) LMNAHPGDMAOBPARP15PARP14
SCHEMBL21580052 0.77 NAMPT (0.44) LMNAHPGDMAOBPARP15PARP14

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 LMNA 2920/4885HPGD 1161/4885MAOB 2653/4885
US-11384085-B2 Modulators of ion channel receptors and uses thereof TRPV1, TRPM8, TRPV2 LMNA 2920/4885HPGD 1161/4885MAOB 2653/4885

“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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