SCHEMBL88365

SCHEMBL88365

CCCCCCCNC(=O)C(N)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.71
LMNA P02545 1/20 0.55
PAX8 Q06710 1/20 0.55
EPHX1 P07099 3/20 0.54
ALDH1A1 P00352 1/20 0.54
HTT P42858 1/20 0.54
TLR2 O60603 1/20 0.52
DPP7 Q9UHL4 1/20 0.51
RRM1 P23921 1/20 0.51
EGFR P00533 1/20 0.50
KDM4A O75164 1/20 0.49

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
SCHEMBL4982670 1.00 NAAA (0.71) NAAALMNAPAX8EPHX1ALDH1A1
SCHEMBL2843459 0.98 NAAA (0.68) NAAALMNAPAX8EPHX1ALDH1A1
SCHEMBL4985814 0.98 NAAA (0.68) NAAALMNAPAX8EPHX1ALDH1A1
Hydrochloric Acid SCHEMBL4933082 0.97 NAAA (0.67) NAAALMNAPAX8EPHX1ALDH1A1
Hydrochloric Acid SCHEMBL4933073 0.97 NAAA (0.67) NAAALMNAPAX8EPHX1ALDH1A1
SCHEMBL4986402 0.94 NAAA (0.61) NAAALMNAPAX8HTTKDM4A
SCHEMBL5664082 0.89 NAAA (0.61) NAAALMNAPAX8EPHX1ALDH1A1
SCHEMBL4201389 0.87 NAAA (0.53) NAAALMNAPAX8KDM4A
SCHEMBL4982177 0.86 NAAA (0.52) NAAAKDM4A
Hydrochloric Acid SCHEMBL4199636 0.86 NAAA (0.51) NAAALMNAPAX8KDM4A

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-8129545-B2 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. (US) 2012-03-06 US disclosed
US-20110281923-A1 ANTAGONISTS OF THE MAGNESIUM BINDING DEFECT AS THERAPEUTIC AGENTS AND METHODS FOR TREATMENT OF ABNORMAL PHYSIOLOGICAL STATES MAGNESIUM DIAGNOSTICS INC. (US) 2011-11-17 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 (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-20110281923-A1 ANTAGONISTS OF THE MAGNESIUM BINDING DEFECT AS THERAPEUTIC AGENTS AND METHODS FOR TREATMENT OF ABNORMAL PHYSIOLOGICAL STATES PLPBP, ECE1, MCU NAAA 3203/4885LMNA 1154/4885PAX8 2391/4885

“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.