SCHEMBL10200748

SCHEMBL10200748

[C-]#[N+]c1nccc(OCc2ccccc2)c1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.43
LTA4H P09960 1/20 0.43
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ABCB1 P08183 1/20 0.39
ALPG P10696 1/20 0.39
PTK2B Q14289 1/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
LIPE Q05469 1/20 0.37
APP P05067 4/20 0.37
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
STAT3 P40763 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BRD4 O60885 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL10201417 0.74 APP (0.47) MAPK14LTA4HMAPTMAPK1TDP1
SCHEMBL2896277 0.73 MAPT (0.64) MAPK14LTA4HMAPTMAPK1TDP1
SCHEMBL16054767 0.70 AOC3 (0.46) MAPK14LTA4HMAPTMAPK1TDP1
SCHEMBL1598565 0.68 MAPT (0.53) MAPK14LTA4HMAPTMAPK1TDP1
SCHEMBL10200751 0.68 ABCB1 (0.50) MAPK14LTA4HMAPTMAPK1TDP1
SCHEMBL20140075 0.67 MAPT (0.67) MAPK14LTA4HMAPTMAPK1TDP1
SCHEMBL4990365 0.67 SLC40A1 (0.50) MAPK14LTA4HMAPTMAPK1TDP1
SCHEMBL8825232 0.67 LTA4H (0.64) MAPK14LTA4HMAPTMAPK1TDP1
SCHEMBL23640344 0.67 MAPK14 (0.50) MAPK14LTA4HMAPTMAPK1TDP1
SCHEMBL23723738 0.66 MAPK14 (0.49) MAPK14LTA4HMAPTMAPK1TDP1

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-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US 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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 MAPK14 1193/4885LTA4H 612/4885MAPT 971/4885

“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.