SCHEMBL21580076

SCHEMBL21580076

O=C(NCc1cc(OCc2ccccc2F)ccc1F)c1cccn2nnnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PARP15 Q460N3 2/20 0.40
▸ PARP10 Q53GL7 2/20 0.40
▸ MAOB P27338 3/20 0.40
▸ KLKB1 P03952 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SCN3A Q9NY46 2/20 0.39
▸ PARP14 Q460N5 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SGMS2 Q8NHU3 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ PTPN2 P17706 1/20 0.37
▸ PTPN1 P18031 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
SCHEMBL21580113 0.90 SCN3A (0.48) TP53LMNAPARP15PARP10MAOB
SCHEMBL21580066 0.89 TP53 (0.47) TP53LMNASCN3AALDH1A1HPGD
SCHEMBL21580082 0.86 KDM4E (0.43) TP53LMNAPARP15PARP10MAOB
SCHEMBL23691881 0.83 LMNA (0.42) TP53LMNAPARP15PARP10MAOB
SCHEMBL21580078 0.83 LMNA (0.45) TP53LMNAPARP15PARP10MAOB
SCHEMBL21580093 0.83 RIPK1 (0.37) TP53PARP15PARP10KLKB1THRB
SCHEMBL21580081 0.80 MAPT (0.43) TP53LMNAPARP15PARP10MAOB
SCHEMBL21580146 0.79 PARP15 (0.45) TP53LMNAPARP15PARP10MAOB
SCHEMBL21580138 0.76 SCN3A (0.49) TP53LMNAPARP15PARP10MAOB
SCHEMBL21580033 0.75 KDM4E (0.41) TP53LMNASCN3AALDH1A1HPGD

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 TP53 4752/4885LMNA 2920/4885PARP15 2847/4885
US-11384085-B2 Modulators of ion channel receptors and uses thereof TRPV1, TRPM8, TRPV2 TP53 4752/4885LMNA 2920/4885PARP15 2847/4885

“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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