SCHEMBL23988442

SCHEMBL23988442

COc1c(C)cnc(C[S@@+]([O-])c2nc3ccccc3[nH]2)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 3/20 0.58
KMT2A Q03164 3/20 0.58
BRS3 P32247 2/20 0.44
SARM1 Q6SZW1 2/20 0.44
ATP4A P20648 4/20 0.43
ATP4B P51164 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
CYP2C9 P11712 2/20 0.43
DDAH1 O94760 2/20 0.43
ENGASE Q8NFI3 2/20 0.43
ATP1A1 P05023 2/20 0.43
ATP1B1 P05026 2/20 0.43
ATP1A3 P13637 2/20 0.43
ATP1B2 P14415 2/20 0.43
ATP1A2 P50993 2/20 0.43
ATP1B3 P54709 2/20 0.43
FXYD2 P54710 2/20 0.43
ATP1A4 Q13733 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ABCB11 O95342 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
SCHEMBL5348110 1.00 WDR5 (0.58) WDR5KMT2ABRS3SARM1ATP4A
SCHEMBL5348112 1.00 WDR5 (0.58) WDR5KMT2ABRS3SARM1ATP4A
SCHEMBL23988508 0.90 KMT2A (0.47) WDR5KMT2ABRS3SARM1ATP4A
SCHEMBL8119116 0.87 KMT2A (0.45) WDR5KMT2ABRS3SARM1ATP4A
SCHEMBL15032050 0.87 KMT2A (0.44) WDR5KMT2ABRS3SARM1ATP4A
SCHEMBL12878864 0.87 BRS3 (0.50) WDR5KMT2ABRS3SARM1ATP4A
SCHEMBL10617038 0.87 BRS3 (0.50) WDR5KMT2ABRS3SARM1ATP4A
SCHEMBL4548502 0.87 KMT2A (0.44) WDR5KMT2ABRS3SARM1ATP4A
SCHEMBL10578114 0.87 KMT2A (0.44) WDR5KMT2ABRS3SARM1ATP4A
SCHEMBL2615442 0.87 KMT2A (0.44) WDR5KMT2ABRS3SARM1ATP4A

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-20220202796-A1 CXCL10 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-06-30 US disclosed
US-20210338650-A1 CXCL10 Inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-11-04 US 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-20220202796-A1 CXCL10 Inhibitors CXCL10, CCL5, CCL11 WDR5 3395/4885KMT2A 3380/4885BRS3 4688/4885
US-20210338650-A1 CXCL10 Inhibitors CXCL10, CCL5, CCL11 WDR5 3395/4885KMT2A 3380/4885BRS3 4688/4885

“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.