SCHEMBL459971

SCHEMBL459971

Cc1cc(C(N)=NO)cc(C)c1OC[C@@H]1COC(C)(C)O1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK14 Q16539 6/20 0.34
HTR7 P34969 1/20 0.34
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
CCNK O75909 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
LMNA P02545 1/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
JAK2 O60674 2/20 0.31
NTRK1 P04629 2/20 0.31

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
SCHEMBL459793 1.00 CA2 (0.43) CA2ALDH1A1NPSR1MAPK14HTR7
SCHEMBL459969 1.00 CA2 (0.43) CA2ALDH1A1NPSR1MAPK14HTR7
SCHEMBL10181092 0.80 CA2 (0.47) CA2ALDH1A1NPSR1MAPK14KCNJ5
SCHEMBL1189730 0.78 HTR7 (0.38) CA2ALDH1A1NPSR1MAPK14HTR7
SCHEMBL459792 0.78 HTR7 (0.38) CA2ALDH1A1NPSR1MAPK14HTR7
SCHEMBL459970 0.78 HTR7 (0.38) CA2ALDH1A1NPSR1MAPK14HTR7
SCHEMBL459717 0.76 CA2 (0.41) CA2ALDH1A1NPSR1MAPK14KCNJ5
SCHEMBL459920 0.76 CA2 (0.41) CA2ALDH1A1NPSR1MAPK14KCNJ5
SCHEMBL3340232 0.74 CA2 (0.40) CA2MAPK14KCNJ5KCNJ3JAK2
SCHEMBL3340222 0.74 CA2 (0.40) CA2MAPK14KCNJ5KCNJ3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595969-B1 Substituted 3-phenyl-1,2,4-oxadiazole compounds BRISTOL MYERS SQUIBB CO (US) 2015-04-22 EP disclosed
US-8822510-B2 Substituted 3-phenyl-1,2,4-Oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-02 US disclosed
US-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUBIB COMPANY 2013-06-20 US disclosed
EP-2595969-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS Bristol-Myers Squibb Company (US) 2013-05-29 EP disclosed
WO-2012012477-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-26 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-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 CA2 3576/4885ALDH1A1 1493/4885NPSR1 203/4885

“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.