SCHEMBL21580082

SCHEMBL21580082

O=C(NCc1cc(OCc2ccccc2F)ccc1F)c1cccn2ncnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ PARP15 Q460N3 2/20 0.41
▸ PARP10 Q53GL7 2/20 0.41
▸ MAOB P27338 3/20 0.41
▸ KLKB1 P03952 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ STING1 Q86WV6 1/20 0.40
▸ SCN3A Q9NY46 1/20 0.39
▸ PARP14 Q460N5 1/20 0.39
▸ HPGD P15428 3/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ROCK1 Q13464 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
SCHEMBL21580138 0.90 SCN3A (0.49) KDM4EPKMHSD17B10TP53LMNA
SCHEMBL21580033 0.89 KDM4E (0.41) KDM4EPKMHSD17B10TP53LMNA
SCHEMBL21580076 0.86 TP53 (0.42) TP53LMNAPARP15PARP10MAOB
SCHEMBL21580078 0.84 LMNA (0.45) TP53LMNAPARP15PARP10MAOB
SCHEMBL23691881 0.82 LMNA (0.42) KDM4ETP53LMNAPARP15PARP10
SCHEMBL21580081 0.81 MAPT (0.43) TP53LMNAPARP15PARP10MAOB
SCHEMBL21580075 0.81 HPGD (0.42) TP53LMNAPARP15PARP10MAOB
SCHEMBL21580072 0.80 LMNA (0.45) TP53LMNAPARP15PARP10MAOB
SCHEMBL21580146 0.80 PARP15 (0.45) TP53LMNAPARP15PARP10MAOB
SCHEMBL21580083 0.77 MAOB (0.42) TP53LMNAPARP15PARP10MAOB

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 KDM4E 4014/4885PKM 2415/4885HSD17B10 3845/4885
US-11384085-B2 Modulators of ion channel receptors and uses thereof TRPV1, TRPM8, TRPV2 KDM4E 4014/4885PKM 2415/4885HSD17B10 3845/4885

“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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