SCHEMBL21580097

SCHEMBL21580097

O=C(NCc1ccc(OCc2ccccc2F)cc1)c1cnc2ccccn12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 1/20 0.51
▸ SCN9A Q15858 1/20 0.48
▸ KIT P10721 3/20 0.46
▸ DDR2 Q16832 3/20 0.46
▸ DDR1 Q08345 1/20 0.46
▸ CLK1 P49759 5/20 0.46
▸ PDGFRA P16234 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ TP53 P04637 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ PKM P14618 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ MAOB P27338 4/20 0.44
▸ PARP15 Q460N3 1/20 0.44
▸ PARP14 Q460N5 1/20 0.44
▸ PARP10 Q53GL7 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL21580054 0.89 KIT (0.53) KITDDR2DDR1CLK1PDGFRA
SCHEMBL21580140 0.80 SCN3A (0.51) SCN3ASCN9AKDM4ETP53ALOX12
SCHEMBL21580128 0.79 SCN3A (0.50) SCN3ASCN9AKDM4ETP53ALOX12
SCHEMBL21580133 0.78 SCN3A (0.49) SCN3ASCN9AKDM4ETP53ALOX12
SCHEMBL21580166 0.76 L3MBTL1 (0.51) SCN3ASCN9AKDM4ETP53ALOX12
SCHEMBL21580126 0.76 SCN3A (0.56) SCN3ASCN9AKDM4ETP53ALOX12
SCHEMBL21580103 0.75 SCN3A (0.50) SCN3ASCN9AKDM4ETP53ALOX12
SCHEMBL21580123 0.75 TSHR (0.57) SCN3ASCN9ASMN1; SMN2LMNAHTT
SCHEMBL21580106 0.75 SCN3A (0.52) SCN3ASCN9AKDM4ETP53ALOX12
SCHEMBL1684347 0.75 RAB9A (0.50) KITDDR2DDR1KDM4ETP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210230157-A1 PAIN TREATING COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2021-07-29 — — US disclosed
WO-2019218024-A1 PAIN TREATING COMPOUNDS 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 (1 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-20210230157-A1 PAIN TREATING COMPOUNDS AND USES THEREOF TRPV1, TRPA1, TRPV3 SCN3A 46/4885SCN9A 190/4885KIT 2737/4885

“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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