SCHEMBL21609115

SCHEMBL21609115

O=S(=O)(Nc1noc2cccc(Cl)c12)c1cccc2cccnc12

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
SLC40A1 Q9NP59 5/20 0.54
ATM Q13315 1/20 0.52
TYMS P04818 1/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.48
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL21609081 0.86 CCKBR (0.42) MEN1KMT2ASLC40A1
SCHEMBL21609231 0.84 SLC40A1 (0.51) MEN1KMT2ASLC40A1ATM
SCHEMBL29652425 0.84 ALDH1A1 (0.62) MEN1KMT2ASLC40A1ALDH1A1MAPT
SCHEMBL21609134 0.84 ALDH1A1 (0.62) MEN1KMT2ASLC40A1ALDH1A1MAPT
SCHEMBL21609121 0.82 EDNRA (0.50) TYMSGAAALDH1A1MAPTTP53
SCHEMBL21609018 0.81 KMT2A (0.52) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL21609028 0.80 BRD4 (0.41) MEN1KMT2ASLC40A1TP53CYP3A4
SCHEMBL21609022 0.80 HTR2A (0.44)
SCHEMBL21608956 0.79 EDNRA (0.47) KMT2ATP53
SCHEMBL29652562 0.79 EDNRA (0.47) KMT2ATP53

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 MEN1 122/4885KMT2A 4165/4885SLC40A1 459/4885
US-20200039945-A1 Compounds SLC10A1, ABCB11, PCSK9 MEN1 121/4885KMT2A 4165/4885SLC40A1 460/4885

“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.