SCHEMBL7592279

SCHEMBL7592279

COC(=O)c1c(C)c([N+](=O)[O-])cc2nc(OC)c(OC)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
VCAM1 P19320 1/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT1 P17948 1/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
LMNA P02545 3/20 0.36
GALR2 O43603 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP2C9 P11712 2/20 0.36
HPGD P15428 2/20 0.36
ABCC4 O15439 1/20 0.36

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
SCHEMBL7593494 0.88 TPMT (0.41) MAPTKMT2AMEN1LMNAGAA
SCHEMBL7598494 0.88 KMT2A (0.38) SMN1; SMN2MAPTKMT2AMEN1LMNA
SCHEMBL7596330 0.87 LMNA (0.36) SMN1; SMN2MAPTKDM4EKMT2AMEN1
SCHEMBL7596324 0.86 KMT2A (0.46) SMN1; SMN2KMT2AMEN1LMNAGALR2
SCHEMBL7594307 0.85 KMT2A (0.38) SMN1; SMN2VCAM1MAPTKDM4EKMT2A
SCHEMBL7960036 0.82 ALDH1A1 (0.40) SMN1; SMN2MAPTKDM4ELMNAGALR2
SCHEMBL7594081 0.82 ALDH1A1 (0.52) SMN1; SMN2MAPTKMT2AMEN1LMNA
SCHEMBL7593978 0.81 IMPDH2 (0.39) SMN1; SMN2MAPTKMT2AMEN1LMNA
SCHEMBL7822145 0.81 GAA (0.40) SMN1; SMN2KDM4EKMT2AMEN1POLB
SCHEMBL7593974 0.79 IMPDH2 (0.35) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1

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-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 SMN1; SMN2 201/4885VCAM1 2893/4885MAPT 3487/4885

“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.