SCHEMBL21580086

SCHEMBL21580086

O=C(NCc1cc(OCc2ccccc2F)ccc1F)c1ccc2cncn2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.48
▸ NAMPT P43490 1/20 0.48
▸ LMNA P02545 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ MAOB P27338 3/20 0.44
▸ PARP15 Q460N3 1/20 0.44
▸ PARP14 Q460N5 1/20 0.44
▸ PARP10 Q53GL7 1/20 0.44
▸ RARA P10276 1/20 0.43
▸ RARB P10826 1/20 0.43
▸ RARG P13631 1/20 0.43
▸ GCK P35557 1/20 0.43
▸ ROCK2 O75116 5/20 0.41
▸ TP53 P04637 2/20 0.41
▸ ALKBH1 Q13686 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ ROCK1 Q13464 2/20 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
SCHEMBL21580105 0.90 NAMPT (0.59) HDAC1NAMPTLMNAHPGDMAOB
SCHEMBL21580036 0.89 NAMPT (0.52) HDAC1NAMPTLMNAHPGDRARA
SCHEMBL21580079 0.88 NAMPT (0.44) NAMPTLMNAHPGDMAOBPARP15
SCHEMBL21580088 0.83 MLLT1 (0.55) NAMPTLMNAHPGDMAOBPARP15
SCHEMBL21580081 0.81 MAPT (0.43) LMNAHPGDMAOBPARP15PARP14
SCHEMBL21580087 0.81 TP53 (0.43) LMNAHPGDMAOBPARP15PARP14
SCHEMBL21580120 0.79 NAMPT (0.53) HDAC1NAMPTLMNAHPGDMAOB
SCHEMBL21580072 0.78 LMNA (0.45) NAMPTLMNAHPGDMAOBPARP15
SCHEMBL23691878 0.77 HPGD (0.42) LMNAHPGDMAOBPARP15PARP14
SCHEMBL21580035 0.77 NAMPT (0.47) NAMPTLMNAHPGDRARARARB

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 HDAC1 1999/4885NAMPT 2153/4885LMNA 2920/4885
US-11384085-B2 Modulators of ion channel receptors and uses thereof TRPV1, TRPM8, TRPV2 HDAC1 1999/4885NAMPT 2153/4885LMNA 2920/4885

“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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