SCHEMBL2549064

SCHEMBL2549064

Cc1nccn1Cc1ccc(-c2ccccc2C(N)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.55
AGTR2 P50052 1/20 0.55
GRM2 Q14416 1/20 0.53
PPARG P37231 4/20 0.49
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
BCAT2 O15382 1/20 0.47
GPR142 Q7Z601 1/20 0.45
TNIK Q9UKE5 1/20 0.44
ADRA1D P25100 1/20 0.43
ALOX5 P09917 1/20 0.43

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
SCHEMBL24579578 0.86 GRM2 (0.53) AGTR1AGTR2GRM2LMNAL3MBTL1
SCHEMBL1839002 0.81 LMNA (0.52) AGTR1AGTR2GRM2LMNAL3MBTL1
SCHEMBL15071657 0.80 LMNA (0.55) AGTR1AGTR2GRM2LMNAL3MBTL1
Hydrochloric Acid SCHEMBL7837414 0.80 LMNA (0.51) AGTR1AGTR2GRM2LMNAL3MBTL1
SCHEMBL11957619 0.78 SOS1 (0.58) PPARG
SCHEMBL31729500 0.77 LMNA (0.68) GRM2LMNAL3MBTL1GPR142
SCHEMBL11957613 0.75 CYP19A1 (0.60) GRM2BCAT2
SCHEMBL1844592 0.75 LMNA (0.49) AGTR1AGTR2PPARGLMNAL3MBTL1
SCHEMBL31270697 0.75 LMNA (0.74) LMNAL3MBTL1
SCHEMBL11113913 0.74 LMNA (0.64) GRM2LMNAL3MBTL1

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-8236843-B2 Anti inflammatory compounds ELDER PHARMACEUTICALS LTD. (IN) 2012-08-07 US disclosed
US-8236843-B2 Anti inflammatory compounds ELDER PHARMACEUTICALS LTD. (IN) 2012-08-07 US disclosed
US-8236843-B2 Anti inflammatory compounds ELDER PHARMACEUTICALS LTD. (IN) 2012-08-07 US disclosed
US-20110263543-A1 ANTI INFLAMMATORY COMPOUNDS ELDER PHARMACEUTICALS LTD. (IN) 2011-10-27 US disclosed
US-20110263543-A1 ANTI INFLAMMATORY COMPOUNDS ELDER PHARMACEUTICALS LTD. (IN) 2011-10-27 US disclosed
US-20110263543-A1 ANTI INFLAMMATORY COMPOUNDS ELDER PHARMACEUTICALS LTD. (IN) 2011-10-27 US disclosed
WO-2010029576-A2 ANTI INFLAMMATORY COMPOUNDS ELDER PHARMACEUTICALS LTD. (IN) 2010-03-18 WO 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-20110263543-A1 ANTI INFLAMMATORY COMPOUNDS IL1B, LITAF, IL6 AGTR1 1702/4885AGTR2 1149/4885GRM2 4007/4885

“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.