SCHEMBL1689086

SCHEMBL1689086

CS(=O)(=O)c1nn(-c2ccccc2)c2nc(-c3ccc(-c4cc[n+]([O-])cc4)cc3)n(-c3ccc(Cl)cc3)c(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.42
GRM1 Q13255 4/20 0.41
GRM5 P41594 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGS2 P35354 4/20 0.39
THRB P10828 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALOX5 P09917 1/20 0.36
PPARA Q07869 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL1753271 0.89 MAPT (0.46) MAPTTP53GRM1GRM5ALDH1A1
SCHEMBL4167532 0.87 MAPT (0.52) MAPTTP53GRM1GRM5ALDH1A1
SCHEMBL4174355 0.85 MAPT (0.44) MAPTTP53GRM1GRM5ALDH1A1
SCHEMBL4164852 0.84 MAPT (0.44) MAPTTP53GRM1GRM5ALDH1A1
SCHEMBL5612004 0.83 MAPT (0.43) MAPTTP53GRM1GRM5ALDH1A1
SCHEMBL4159236 0.83 MAPT (0.43) MAPTTP53GRM1GRM5ALDH1A1
SCHEMBL1688985 0.82 MAPT (0.42) MAPTTP53GRM1GRM5ALDH1A1
SCHEMBL4170521 0.81 MAPT (0.43) MAPTTP53GRM1GRM5ALDH1A1
SCHEMBL4177489 0.81 MAPT (0.41) MAPTTP53GRM1GRM5ALDH1A1
SCHEMBL4164853 0.81 MAPT (0.45) MAPTTP53GRM1GRM5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US claimed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US claimed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US claimed
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP claimed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 WO claimed
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US disclosed
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 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 (2 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-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH MAPT 1780/4885TP53 4640/4885GRM1 69/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH MAPT 1780/4885TP53 4640/4885GRM1 69/4885

“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.