SCHEMBL21580070

SCHEMBL21580070

O=C(NCc1cccc(OCc2ccccc2F)c1)c1cn2cccnc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.42
▸ THRB P10828 1/20 0.42
▸ MAPT P10636 6/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ KDM4E B2RXH2 5/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ CLK1 P49759 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ F10 P00742 1/20 0.39

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
SCHEMBL21580100 0.90 SCN3A (0.48) TP53MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL21580151 0.89 TP53 (0.42) TP53MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL21580058 0.87 NPC1 (0.48) TP53THRBMAPTKDM4EHSD17B10
SCHEMBL21580067 0.84 NAMPT (0.42) TP53THRBKDM4EHSD17B10ALDH1A1
SCHEMBL21580068 0.81 TP53 (0.42) TP53THRBMAPTKDM4EHSD17B10
SCHEMBL21580055 0.80 KDM4E (0.48) TP53THRBSMN1; SMN2KDM4EHSD17B10
SCHEMBL23691868 0.78 HPGD (0.42) TP53THRBKDM4EALDH1A1HPGD
SCHEMBL23691877 0.78 F2 (0.43) TP53THRBSMN1; SMN2KDM4EALDH1A1
SCHEMBL23692096 0.78 NPC1 (0.43) TP53THRBMAPTSMN1; SMN2KDM4E
SCHEMBL21580069 0.77 MAPT (0.43) TP53THRBMAPTKDM4EALDH1A1

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 4752/4885THRB 598/4885MAPT 3259/4885
US-11384085-B2 Modulators of ion channel receptors and uses thereof TRPV1, TRPM8, TRPV2 TP53 4752/4885THRB 598/4885MAPT 3259/4885

“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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