SCHEMBL7035110

SCHEMBL7035110

CCN(CC)C(N(CC)CC)=[N+](CC)CC.O=[N+]([O-])[O-]

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP8 P22894 1/20 0.30

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
Fluoride Ion SCHEMBL4607229 0.85 EHMT2 (0.33) TSHRALDH1A1LMNA
Bromide SCHEMBL262065 0.85 EHMT2 (0.33) TSHRALDH1A1LMNA
Hydrochloric Acid SCHEMBL261161 0.85 EHMT2 (0.33) TSHRALDH1A1LMNA
Nitrous Acid SCHEMBL7032189 0.84 LMNA (0.30) LMNA
Acetic Acid SCHEMBL261148 0.84 CA1 (0.36) LMNAMMP1MMP2MMP3MMP8
Sulfuric Acid SCHEMBL7028500 0.82 MEN1 (0.33) TSHRALDH1A1
SCHEMBL262265 0.82
SCHEMBL7033765 0.78 TSHR (0.35) TSHRALDH1A1LMNAMMP1MMP2
SCHEMBL7032131 0.78
SCHEMBL8717245 0.76 CA12 (0.37) TSHRALDH1A1

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 TSHR 2156/4885ALDH1A1 3237/4885LMNA 4671/4885

“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.