SCHEMBL1840343

SCHEMBL1840343

Cc1nc([N+](=O)[O-])c(Br)n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.69
HTT P42858 2/20 0.57
NPC1 O15118 1/20 0.57
JAK2 O60674 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HKDC1 Q2TB90 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
PPARG P37231 6/20 0.50

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
SCHEMBL1845528 0.85 MAPT (0.50) MAPTHTTNPC1JAK2RAB9A
SCHEMBL11957625 0.82 MAPT (0.67) MAPTHTTNPC1JAK2RAB9A
SCHEMBL1840030 0.82 MAPT (0.67) MAPTHTTNPC1JAK2RAB9A
SCHEMBL1844573 0.77 SOS1 (0.59) PPARG
SCHEMBL9874279 0.76 PPARG (0.53) PPARG
SCHEMBL8396864 0.76 PPARG (0.72) RAB9APPARG
SCHEMBL345 0.75 AGTR1 (0.75)
SCHEMBL9874062 0.74 PPARG (0.54) PPARG
SCHEMBL9873184 0.73 PPARG (0.51) PPARG
SCHEMBL9874652 0.73 AGTR1 (0.71) PPARG

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 13 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 claimed
US-20110263543-A1 ANTI INFLAMMATORY COMPOUNDS ELDER PHARMACEUTICALS LTD. (IN) 2011-10-27 US claimed
EP-2321281-A2 ANTI INFLAMMATORY COMPOUNDS Elder Pharmaceuticals Ltd (IN) 2011-05-18 EP claimed
WO-2010029576-A2 ANTI INFLAMMATORY COMPOUNDS ELDER PHARMACEUTICALS LTD. (IN) 2010-03-18 WO claimed
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
EP-2321281-A2 ANTI INFLAMMATORY COMPOUNDS Elder Pharmaceuticals Ltd (IN) 2011-05-18 EP disclosed
WO-2010029576-A2 ANTI INFLAMMATORY COMPOUNDS ELDER PHARMACEUTICALS LTD. (IN) 2010-03-18 WO 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 MAPT 2758/4885HTT 4019/4885NPC1 1719/4885

“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.