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SCHEMBL7593597

SCHEMBL7593597

COc1nc2cc([N+](=O)[O-])c(C)c(C(=O)NCC(=O)OC(C)(C)C)c2nc1OC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ PTPRC P08575 2/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ GAA P10253 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL7598494 0.82 KMT2A (0.38) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL7593978 0.82 IMPDH2 (0.39) ALDH1A1SMN1; SMN2MAPTGAAMEN1
SCHEMBL7594981 0.80 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2GAAKDM4EMEN1
SCHEMBL7592279 0.79 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2MAPTGAAKDM4E
SCHEMBL7593494 0.78 TPMT (0.41) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL7596330 0.77 LMNA (0.36) ALDH1A1SMN1; SMN2MAPTGAAKDM4E
SCHEMBL7594081 0.76 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTGAAMEN1
SCHEMBL7596324 0.76 KMT2A (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL7960036 0.72 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MAPTKDM4EHTT
SCHEMBL7595262 0.72 L3MBTL1 (0.47) ALDH1A1GAAKMT2AL3MBTL1LMNA

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
US-20020065415-A1 Conformationally semi-constrained quinoxaline 2,3-diones as neuroprotective agents KORNBERG BRIAN EDWARD (US) 2002-05-30 — — US claimed
US-6340758-B1 DRUGS AS NEUROPROTECTIVE AGENTS INVENTION MAY ALSO BE USEFUL IN THE TREATMENT OF SCHIZOPHRENIA, EPILEPSY, ANXIETY, PAIN AND DRUG ADDICTION. WARNER-LAMBERT COMPANY 2002-01-22 — — US claimed
US-6455698-B1 FOR TREATING CEREBRAL ISCHEMIA OR CEREBRAL INFARCTION RESULTING FROM THROMBOEMBOLIC OR HEMORRHAGIC STROKE, CEREBRAL VASOSPASMS, HYPOGLYCEMIA, CARDIAC ARREST, NEURODEGENERATIVE DISORDERS WARNER-LAMBERT COMPANY 2002-09-24 — — US disclosed
US-20020065415-A1 Conformationally semi-constrained quinoxaline 2,3-diones as neuroprotective agents KORNBERG BRIAN EDWARD (US) 2002-05-30 — — US disclosed
US-6340758-B1 DRUGS AS NEUROPROTECTIVE AGENTS INVENTION MAY ALSO BE USEFUL IN THE TREATMENT OF SCHIZOPHRENIA, EPILEPSY, ANXIETY, PAIN AND DRUG ADDICTION. WARNER-LAMBERT COMPANY 2002-01-22 — — US 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-20020065415-A1 Conformationally semi-constrained quinoxaline 2,3-diones as neuroprotective agents CBR1, CBR3, CHRNA7 ALDH1A1 2556/4885PTPRC 3873/4885SMN1; SMN2 201/4885

“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.