SCHEMBL10200326

SCHEMBL10200326

CC(=O)Nc1ccc(I)c(O)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
PTK2 Q05397 1/20 0.43
MAPK8 P45983 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
CYP1A2 P05177 2/20 0.39
GAA P10253 1/20 0.39
SCN9A Q15858 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
MEN1 O00255 1/20 0.38
CA12 O43570 1/20 0.38
BRD4 O60885 1/20 0.38
NR1I2 O75469 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL16631609 0.80 KDM4E (0.45) KDM4ELMNAPTK2MAPK8L3MBTL1
SCHEMBL31438491 0.80 PTK2 (0.50) KDM4ELMNAPTK2MAPK8L3MBTL1
SCHEMBL31438597 0.80 KDM4E (0.45) KDM4ELMNAPTK2MAPK8L3MBTL1
SCHEMBL3056162 0.80 SCN9A (0.50) KDM4ELMNAPTK2MAPK8L3MBTL1
SCHEMBL18153016 0.80 PTK2 (0.50) KDM4ELMNAPTK2MAPK8L3MBTL1
SCHEMBL16685587 0.78 KDM4E (0.46) KDM4ELMNAPTK2MAPK8L3MBTL1
SCHEMBL1721734 0.77 MAPK8 (0.45) KDM4ELMNAPTK2MAPK8L3MBTL1
SCHEMBL13439478 0.73 KDM4E (0.41) KDM4ELMNAPTK2MAPK8L3MBTL1
SCHEMBL13439477 0.73 CYP1A2 (0.43) KDM4ELMNAPTK2MAPK8L3MBTL1
SCHEMBL821844 0.71 KDM4E (0.71) KDM4ELMNAMAPK8L3MBTL1HSP90AA1

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
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
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
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 KDM4E 4592/4885LMNA 1280/4885PTK2 2096/4885

“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.