SCHEMBL2004356

SCHEMBL2004356

Cc1cc2nn(C(=O)OC(C)(C)C)cc2cc1Br

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
KCNH2 Q12809 2/20 0.31
BRD4 O60885 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
ROCK2 O75116 1/20 0.31
LCK P06239 3/20 0.31
SCD O00767 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL30886888 0.80 HDAC8 (0.39) LMNAPIK3R1PIK3CAROCK2SCD
SCHEMBL4166121 0.80 BACE1 (0.40) LMNAPIK3R1PIK3CAROCK2SCD
SCHEMBL16834334 0.79 IRAK4 (0.41) PIK3R1PIK3CABRD4IRAK4LCK
SCHEMBL16228349 0.76 IRAK4 (0.43) LMNAKCNH2IRAK4
SCHEMBL481939 0.75 ROCK2 (0.34) LMNAROCK2SCD
SCHEMBL20139620 0.75 ESR2 (0.42) ROCK2SCDMEN1KMT2A
SCHEMBL16834458 0.75 HSP90AA1 (0.38) LMNASCDMEN1KMT2A
SCHEMBL16227930 0.74 FPR2 (0.41) LMNAPIK3CAIRAK4
SCHEMBL18603273 0.74 KCNH2 (0.34) LMNAPIK3R1PIK3CAKCNH2ROCK2
SCHEMBL6891951 0.73 MEN1 (0.43) SCDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-11-08 US disclosed
EP-2513095-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-10-24 EP disclosed
WO-2011072488-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-06-23 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-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 LMNA 3344/4885PIK3R1 265/4885PIK3CA 291/4885

“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.