SCHEMBL2217320

SCHEMBL2217320

Fc1ccc(C[Zn]I)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
TAAR1 Q96RJ0 3/20 0.44
AGXT P21549 2/20 0.42
AOC3 Q16853 1/20 0.41
APP P05067 1/20 0.39
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
MAOB P27338 1/20 0.38
MIF P14174 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.37

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
SCHEMBL20745628 0.77 IDO1 (0.52) IDO1LOXL2TAAR1AGXTAOC3
SCHEMBL5201 0.72 IDO1 (0.48) IDO1LOXL2TAAR1AGXTAOC3
SCHEMBL852178 0.72 IDO1 (0.48) IDO1LOXL2TAAR1AGXTAPP
SCHEMBL23461 0.71
SCHEMBL15944871 0.71
SCHEMBL2932602 0.71
SCHEMBL7437052 0.69 TAAR1 (0.68) IDO1LOXL2TAAR1AGXTAOC3
SCHEMBL1468357 0.69 IDO1 (0.58) IDO1LOXL2TAAR1AGXTPLA2G1B
SCHEMBL16561361 0.69 IDO1 (0.58) IDO1LOXL2TAAR1AGXTPLA2G1B
SCHEMBL755085 0.69 TAAR1 (0.59) IDO1LOXL2TAAR1AGXTAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709046-B1 P38 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-07-27 EP disclosed
US-20070161673-A1 P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2007-07-12 US disclosed
EP-1709046-A1 P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 EP disclosed
WO-2005073232-A1 P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-11 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-20070161673-A1 P38 kinase inhibitors MAPK1, MAPK7, MAP3K1 IDO1 2144/4885LOXL2 1670/4885TAAR1 1925/4885

“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.