SCHEMBL2235108

SCHEMBL2235108

COC1NN(c2ccc(C)cc2)C(=O)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 1/20 0.38
F2 P00734 1/20 0.37
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37
CMA1 P23946 1/20 0.37
CTRC Q99895 1/20 0.37
MGLL Q99685 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 2/20 0.34
GRM2 Q14416 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPBWR1 P48145 3/20 0.33
MCHR1 Q99705 3/20 0.33
ALOX5 P09917 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL2233413 0.85 NPBWR1 (0.36) ALDH1A1KMT2AELANEMGLLGRM2
SCHEMBL10826621 0.76 ACHE (0.39) ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL11623489 0.70 MGLL (0.38) MGLL
SCHEMBL2236268 0.70 MGLL (0.45) ALDH1A1KMT2AMGLLKDM4E
SCHEMBL11620524 0.70 GSK3A (0.38) MGLLGSK3AGSK3B
SCHEMBL2233789 0.68 MAOA (0.38) ALDH1A1KMT2AKDM4EGRM2
SCHEMBL11734241 0.60 GSK3A (0.57) ALDH1A1F2ELANECTSGCMA1
SCHEMBL12613234 0.60 GSK3A (0.57) ALDH1A1F2ELANECTSGCMA1
SCHEMBL5328006 0.60 GSK3A (0.60) ALDH1A1KMT2AF2ELANECTSG
SCHEMBL14540825 0.59 GRM2 (0.55) KMT2AGRM2

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-8299264-B2 Method for producing oxadiazolinone compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-30 US 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 50/4885KMT2A 1740/4885F2 3413/4885

“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.