SCHEMBL2551563

SCHEMBL2551563

O=C(O)c1ccccc1-c1ccc(Cn2cncc2[N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.47
AGTR2 P50052 2/20 0.47
PPARG P37231 3/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
PGGT1B P53609 1/20 0.44

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
SCHEMBL17425121 0.81 CYP11B1 (0.53)
SCHEMBL683433 0.81 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL1839727 0.80 CYP11B1 (0.44) PPARGFNTAFNTB
SCHEMBL1841655 0.76 FNTA (0.36) FNTAFNTBPGGT1B
SCHEMBL1843490 0.76 PKM (0.40) FNTAFNTBPGGT1B
SCHEMBL1844573 0.76 SOS1 (0.59) AGTR1AGTR2PPARG
SCHEMBL1839643 0.75 TAAR1 (0.48) AGTR1AGTR2
SCHEMBL27393196 0.74 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL8396472 0.71 CYP11B1 (0.67) AGTR1AGTR2PPARG
SCHEMBL1242 0.71 PKM (0.71) AGTR1AGTR2

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 2 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

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 1149/4885PPARG 85/4885

“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.