SCHEMBL1839643

SCHEMBL1839643

O=C(O)c1ccccc1-c1ccc(Cn2cnc([N+](=O)[O-])c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
AGTR1 P30556 2/20 0.45
AGTR2 P50052 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BRS3 P32247 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
SCHEMBL2548788 0.87 ALDH1A1 (0.51) TAAR1ALDH1A1PKMAGTR1AGTR2
SCHEMBL2979131 0.81 TAAR1 (0.59) TAAR1ALDH1A1PKML3MBTL1
SCHEMBL1845528 0.81 MAPT (0.50)
SCHEMBL1844573 0.80 SOS1 (0.59) PKMAGTR1AGTR2
SCHEMBL1839656 0.80 ALDH1A1 (0.47) TAAR1ALDH1A1PKML3MBTL1
SCHEMBL1841582 0.76 ALDH1A1 (0.43) TAAR1ALDH1A1PKML3MBTL1
SCHEMBL2551563 0.75 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL21199185 0.73 SOS1 (0.58) TAAR1ALDH1A1PKML3MBTL1
SCHEMBL1840296 0.70 BRS3 (0.48) AGTR1AGTR2BRS3
SCHEMBL11957619 0.70 SOS1 (0.58) ALDH1A1PKM

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 TAAR1 3754/4885ALDH1A1 197/4885PKM 2479/4885

“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.