SCHEMBL2006108

SCHEMBL2006108

NCCCCN1CCNC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.39
KEAP1 Q14145 1/20 0.39
SIGMAR1 Q99720 3/20 0.38
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2D6 P10635 1/20 0.32
ACE2 Q9BYF1 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
SCHEMBL2010035 0.93
SCHEMBL6311231 0.88 CXCR4 (0.50) CXCR4SMN1; SMN2KEAP1SIGMAR1
SCHEMBL1097523 0.86 CXCR4 (0.57) CXCR4SMN1; SMN2KEAP1SIGMAR1POLB
SCHEMBL21799929 0.84 CXCR4 (0.61) CXCR4SMN1; SMN2KEAP1SIGMAR1POLB
SCHEMBL21799813 0.84 CXCR4 (0.61) CXCR4SMN1; SMN2KEAP1SIGMAR1POLB
SCHEMBL542926 0.84 CXCR4 (0.61) CXCR4SMN1; SMN2KEAP1SIGMAR1POLB
SCHEMBL10705415 0.84 CXCR4 (0.61) CXCR4SMN1; SMN2KEAP1SIGMAR1POLB
SCHEMBL21799944 0.84 CXCR4 (0.61) CXCR4SMN1; SMN2KEAP1SIGMAR1POLB
SCHEMBL8502191 0.84 CXCR4 (0.61) CXCR4SMN1; SMN2KEAP1SIGMAR1POLB
SCHEMBL15065195 0.84 CXCR4 (0.55) CXCR4SMN1; SMN2KEAP1SIGMAR1POLB

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 3145/4885SMN1; SMN2 8/4885KEAP1 60/4885

“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.