SCHEMBL26327563

SCHEMBL26327563

O=[N+]([O-])c1ccc(OS(=O)(=O)NC2CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA9 Q16790 2/20 0.54
HTT P42858 2/20 0.47
CA12 O43570 1/20 0.46
LMNA P02545 4/20 0.44
POLB P06746 3/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HSP90AA1 P07900 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
RECQL P46063 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
EPHX1 P07099 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL26327568 0.79 CA1 (0.48) CA1CA2CA9HTTCA12
SCHEMBL14596865 0.77 CA1 (0.61) CA1CA2CA9HTTCA12
SCHEMBL28045965 0.77 KDM4E (0.61) CA1CA2CA9HTTCA12
SCHEMBL1471492 0.76 SMN1; SMN2 (0.59) HTTLMNAPOLBMAPTGAA
SCHEMBL5677 0.76 CA1 (0.59) CA1CA2CA9HTTCA12
SCHEMBL31634023 0.74 CA1 (0.67) CA1CA2CA9HTTCA12
Potassium Ion SCHEMBL1902294 0.74 CA1 (0.67) CA1CA2CA9HTTCA12
SCHEMBL23694531 0.74 CA1 (0.53) CA1CA2CA9HTTCA12
SCHEMBL25718115 0.74 ALDH1A1 (0.37) HTTLMNAPOLBGAAALDH1A1
SCHEMBL866410 0.74 CA1 (0.71) CA1CA2CA9HTTCA12

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
CN-114929669-B Aryl amide derivatives with antitumor activity 中外制药株式会社 2024-11-29 CN disclosed
US-20230270730-A1 COMPOSITION CONTAINING ARYLAMIDE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-08-31 US disclosed
CN-115803024-A Composition comprising arylamide derivatives 中外制药株式会社 2023-03-14 CN disclosed
CN-114929669-A Arylamide derivatives having antitumor activity 中外制药株式会社 2022-08-19 CN 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-20230270730-A1 COMPOSITION CONTAINING ARYLAMIDE DERIVATIVE BRAF, NRAS, KRAS CA1 4751/4885CA2 3972/4885CA9 3662/4885

“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.