SCHEMBL21609121

SCHEMBL21609121

O=S(=O)(Nc1noc2cccc(Cl)c12)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.50
EDNRB P24530 2/20 0.50
KAT6A Q92794 1/20 0.47
TYMS P04818 1/20 0.45
BRD4 O60885 2/20 0.43
HCRTR1 O43613 1/20 0.43
CCR4 P51679 1/20 0.42
EPHX2 P34913 1/20 0.42
PGAM1 P18669 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN5 P54829 1/20 0.42
TSHR P16473 1/20 0.41
PGR P06401 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL21609028 0.88 BRD4 (0.41) EDNRAEDNRBKAT6ABRD4CCR4
SCHEMBL21608956 0.84 EDNRA (0.47) EDNRAEDNRBKAT6ABRD4CCR4
SCHEMBL29652562 0.84 EDNRA (0.47) EDNRAEDNRBKAT6ABRD4CCR4
SCHEMBL21609115 0.82 MEN1 (0.55) TYMSTP53ALDH1A1GAAMAPT
SCHEMBL21641942 0.81 BRD4 (0.39) EDNRAEDNRBKAT6ABRD4CCR4
SCHEMBL21609098 0.81 KAT6A (0.58) KAT6ABRD4CCR4PTPN2PTPN1
SCHEMBL21596862 0.81 EDNRB (0.47) EDNRAEDNRBKAT6ABRD4ALDH1A1
SCHEMBL29652493 0.79 PGR (0.46) KAT6ABRD4CCR4PGRMAPT
SCHEMBL21609106 0.79 PGR (0.46) KAT6ABRD4CCR4PGRMAPT
SCHEMBL21609018 0.79 KMT2A (0.52) PTPN2PTPN1PTPN5SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3810602-B1 COMPOUNDS CTXT PTY LTD (AU) 2023-11-01 EP disclosed
US-20220153710-A1 Compounds CTXT PTY LTD (AU) 2022-05-19 US disclosed
US-20200039945-A1 Compounds CTXT PTY LIMITED (AU) 2020-02-06 US disclosed
WO-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 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-20220153710-A1 Compounds SLC10A1, ABCB11, PCSK9 EDNRA 2745/4885EDNRB 2174/4885KAT6A 877/4885
US-20200039945-A1 Compounds SLC10A1, ABCB11, PCSK9 EDNRA 2736/4885EDNRB 2168/4885KAT6A 878/4885

“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.