SCHEMBL2009978

SCHEMBL2009978

NCCCCN1CCCN1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.35
SIGMAR1 Q99720 1/20 0.31
NFKB1 P19838 1/20 0.30
KEAP1 Q14145 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALOX5 P09917 2/20 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
SCHEMBL2007455 0.93
SCHEMBL2006001 0.84
SCHEMBL9449545 0.78 CXCR4 (0.35) CXCR4ALOX5
Methylamine SCHEMBL27943477 0.78 ALOX5 (0.49) CXCR4SIGMAR1ALOX5
SCHEMBL18432572 0.77
SCHEMBL27877149 0.77 ALOX5 (0.51) CXCR4SIGMAR1ALOX5
Methylamine SCHEMBL27943479 0.77 ALOX5 (0.40) CXCR4SIGMAR1ALOX5
SCHEMBL29569422 0.76 ALOX15 (0.35)
SCHEMBL29569270 0.76 ALOX15 (0.35)
SCHEMBL1741781 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US disclosed
EP-2094677-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV Remynd (BE) 2009-09-02 EP disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO disclosed
EP-0789062-B1 WATER-ABSORBENT RESIN DISPERSION AND POLYURETHANE COMPOSITION SANYO CHEMICAL IND LTD (JP) 2003-01-22 EP disclosed
US-5994421-A CROSSLINKING SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-30 US disclosed
EP-0789062-A1 WATER-ABSORBENT RESIN DISPERSION AND POLYURETHANE COMPOSITION SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1997-08-13 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-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP CXCR4 3145/4885SIGMAR1 1998/4885NFKB1 2361/4885

“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.