SCHEMBL22657403

SCHEMBL22657403

[N-]=[N+]=NCCNC(=O)CCl

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TEAD1 P28347 1/20 0.33
YAP1 P46937 1/20 0.33
TEAD4 Q15561 1/20 0.33
TEAD2 Q15562 1/20 0.33

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
SCHEMBL31174132 0.83 CA2 (0.36) CA2CA9
SCHEMBL13787276 0.83 CA2 (0.36) CA2CA9
SCHEMBL16800946 0.81 MEN1 (0.52) CA2CA9
SCHEMBL23662885 0.81 CA2 (0.35) ALDH1A1CA2CA9
SCHEMBL31413665 0.81 CA2 (0.38) CA2CA9
SCHEMBL14308916 0.79 CA2 (0.32) CA2CA9
SCHEMBL18845128 0.78 HDAC3 (0.36) ALDH1A1CA2CA9
SCHEMBL18845127 0.78 CASP2 (0.50) ALDH1A1
SCHEMBL25328127 0.78 FAAH (0.46) ALDH1A1SMN1; SMN2CA2CA9
SCHEMBL14285708 0.78 CA2 (0.36) CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114127974-B Markers for labeling biomolecules 上海宸安生物科技有限公司 2023-04-18 CN disclosed
US-20220146518-A1 TAG FOR LABELING BIOMOLECULES SHANGHAI POLARIS BIOLOGY CO., LTD. (CN) 2022-05-12 US disclosed
EP-3970208-A1 A TAG FOR LABELING BIOMOLECULES Shanghai Polaris Biology Co., Ltd. (CN) 2022-03-23 EP disclosed
CN-114127974-A Markers for labeling biomolecules 上海宸安生物科技有限公司 2022-03-01 CN disclosed
WO-2020228734-A1 A TAG FOR LABELING BIOMOLECULES SHANGHAI POLARIS BIOLOGY CO., LTD. (CN) 2020-11-19 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-20220146518-A1 TAG FOR LABELING BIOMOLECULES BTD, DNPEP, ALB ALDH1A1 1138/4885SMN1; SMN2 4609/4885CA2 4131/4885

“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.