SCHEMBL2233608

SCHEMBL2233608

COC(=O)NN(C(=O)Oc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
GAA P10253 1/20 0.51
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ATM Q13315 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
TLR9 Q9NR96 1/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.42
GFER P55789 1/20 0.42
MGLL Q99685 2/20 0.41
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40

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
SCHEMBL2234801 0.85 PTGES (0.56) ALDH1A1SMN1; SMN2MEN1KMT2AATM
SCHEMBL27842383 0.85 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL2237040 0.83 PTGES (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AATM
SCHEMBL2236288 0.82 PTGES (0.47) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL2234591 0.82 L3MBTL1 (0.48) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL2233290 0.81 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL12047925 0.79 ALDH1A1 (0.89) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL28793433 0.79 PTGES (0.44) ALDH1A1GAAMEN1KMT2AATM
SCHEMBL2234676 0.76 L3MBTL1 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AATM
SCHEMBL27859909 0.75 MTNR1A (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AATM

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
CN-102186811-B Process for producing bisoxazolinone compound and intermediate thereof SUMITOMO CO LTD 2013-07-24 CN disclosed
US-8299264-B2 Method for producing oxadiazolinone compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-30 US disclosed
CN-102186811-A Process for producing bisoxazolinone compound and intermediate thereof SUMITOMO CHEMICAL CO 2011-09-14 CN disclosed
US-20110207936-A1 METHOD FOR PRODUCING OXADIAZOLINONE COMPOUND AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-25 US disclosed
EP-2357167-A1 METHOD FOR PRODUCING OXADIAZOLINONE COMPOUND AND INTERMEDIATE THEREOF Sumitomo Chemical Company, Limited (JP) 2011-08-17 EP 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-20110207936-A1 METHOD FOR PRODUCING OXADIAZOLINONE COMPOUND AND INTERMEDIATE THEREOF AHR, CYP1B1, AR ALDH1A1 50/4885SMN1; SMN2 3381/4885GAA 4157/4885

“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.