SCHEMBL7034958

SCHEMBL7034958

CCCCN(CCCC)C(N(CCCC)CCCC)=[N+](CCCC)CCCC.O=[N+]([O-])[O-]

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA9 Q16790 4/20 0.39
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP8 P22894 1/20 0.37
ALDH2 P05091 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CA2 P00918 2/20 0.33
HTT P42858 1/20 0.33
VCAM1 P19320 1/20 0.31

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
SCHEMBL1713038 0.90 CA12 (0.41) ALDH1A1CA12CA1CA9MMP1
Iodide SCHEMBL7030478 0.88 CA12 (0.40) ALDH1A1CA12CA1CA9MMP1
Fluoride Ion SCHEMBL5446663 0.88 CA12 (0.40) ALDH1A1CA12CA1CA9MMP1
Bromide SCHEMBL6155069 0.88 CA12 (0.40) ALDH1A1CA12CA1CA9MMP1
Hydrochloric Acid SCHEMBL1535756 0.88 CA12 (0.40) ALDH1A1CA12CA1CA9MMP1
Acetic Acid SCHEMBL27529671 0.87 CA1 (0.42) ALDH1A1CA12CA1CA9MMP1
Nitrous Acid SCHEMBL7027221 0.87 CA12 (0.38) ALDH1A1CA12CA1CA9MMP1
Hydrochloric Acid SCHEMBL6265698 0.86 CA12 (0.39) ALDH1A1CA12CA1CA9MMP1
Sulfuric Acid SCHEMBL7028599 0.85 CA12 (0.37) ALDH1A1CA12CA1CA9MMP1
Hydrochloric Acid SCHEMBL25406366 0.84 CA12 (0.38) ALDH1A1CA12CA1CA9MMP1

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-20030163000-A1 Halogen exchange reactions and catalysts therefor CHORDIP LTD. (GB) 2003-08-28 US disclosed
EP-1288196-A1 Process for the preparation of organo guanidinium salts Chordip Ltd. (GB) 2003-03-05 EP 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-20030163000-A1 Halogen exchange reactions and catalysts therefor WEE2, WEE1, SLC39A11 ALDH1A1 3237/4885CA12 1147/4885CA1 1391/4885

“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.