SCHEMBL2215326

SCHEMBL2215326

Fc1ccc(C[Zn]I)cc1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP17A1 P05093 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
DAO P14920 4/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
RIPK1 Q13546 1/20 0.34
KDM1A O60341 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
MPO P05164 1/20 0.32

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
SCHEMBL1300421 0.76 HTT (0.42) HTTALDH1A1CYP17A1CYP11B1CYP11B2
SCHEMBL2823745 0.76 HTT (0.42) HTTALDH1A1CYP17A1CYP11B1CYP11B2
SCHEMBL8065437 0.75 HTT (0.45) HTTALDH1A1CYP17A1CYP11B1CYP11B2
SCHEMBL1045734 0.75 CES2 (0.46) HTTALDH1A1CYP17A1CYP11B1CYP11B2
SCHEMBL16105820 0.74 DAO (0.55) HTTALDH1A1CYP17A1CYP11B1CYP11B2
SCHEMBL3299911 0.74 CYP17A1 (0.52) HTTALDH1A1CYP17A1CYP11B1CYP11B2
SCHEMBL2217320 0.72 IDO1 (0.48) MAOB
SCHEMBL6203927 0.72 HTT (0.47) HTTALDH1A1CYP17A1CYP11B1CYP11B2
SCHEMBL28041389 0.72 HTT (0.47) HTTALDH1A1CYP17A1CYP11B1CYP11B2
SCHEMBL3613228 0.71 DAO (0.44) HTTALDH1A1CYP17A1CYP11B1CYP11B2

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 HTT 4796/4885ALDH1A1 1403/4885CYP17A1 698/4885

“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.