SCHEMBL2233290

SCHEMBL2233290

COC(=O)NN(C(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1OC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
GAA P10253 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 2/20 0.43
PKM P14618 2/20 0.43
ATM Q13315 1/20 0.42
MGLL Q99685 2/20 0.41
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 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
SCHEMBL2235392 0.85 POLB (0.41) ALDH1A1GAASMN1; SMN2HTTATM
SCHEMBL2232497 0.84 MAPT (0.41) GAASMN1; SMN2ATMKMT2AMAPT
SCHEMBL2236294 0.83 ATM (0.47) ALDH1A1SMN1; SMN2ATMKMT2AMAPT
SCHEMBL2232860 0.81 ATM (0.44) ALDH1A1SMN1; SMN2HTTATMKMT2A
SCHEMBL2233608 0.81 ALDH1A1 (0.57) ALDH1A1GAASMN1; SMN2ATMMGLL
SCHEMBL2233414 0.81 LIPE (0.53) KMT2AMAPTMEN1
SCHEMBL27842383 0.79 ALDH1A1 (0.52) ALDH1A1GAASMN1; SMN2HTTMGLL
SCHEMBL2235417 0.77 KMT2A (0.43) ALDH1A1SMN1; SMN2HTTKMT2AMAPT
SCHEMBL2237995 0.75 HPGD (0.41) ALDH1A1GAASMN1; SMN2KMT2AMAPT
SCHEMBL2234563 0.74 KDM4E (0.43) ALDH1A1GAASMN1; SMN2KMT2AMAPT

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 50/4885GAA 4157/4885SMN1; SMN2 3381/4885

“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.