SCHEMBL7596324

SCHEMBL7596324

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TPMT P51580 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GSTP1 P09211 1/20 0.34
GSTM2 P28161 1/20 0.34
ERN1 O75460 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
GALR2 O43603 1/20 0.33
POLB P06746 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
SCHEMBL7593974 0.88 IMPDH2 (0.35) KMT2AHTTALDH1A1SMN1; SMN2MEN1
SCHEMBL7593494 0.87 TPMT (0.41) KMT2AHTTALDH1A1LMNAMEN1
SCHEMBL7596330 0.86 LMNA (0.36) KMT2AHTTALDH1A1LMNASMN1; SMN2
SCHEMBL7592279 0.86 SMN1; SMN2 (0.38) KMT2AHTTALDH1A1LMNASMN1; SMN2
SCHEMBL7598494 0.84 KMT2A (0.38) KMT2AALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL7960036 0.81 ALDH1A1 (0.40) HTTALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL7594081 0.78 ALDH1A1 (0.52) KMT2AHTTALDH1A1LMNASMN1; SMN2
SCHEMBL7591766 0.78 ALDH1A1 (0.37) KMT2AALDH1A1MEN1
SCHEMBL7593978 0.78 IMPDH2 (0.39) KMT2AHTTALDH1A1LMNASMN1; SMN2
SCHEMBL27395257 0.78 MAPT (0.38) KMT2AHTTALDH1A1LMNASMN1; SMN2

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 KMT2A 3481/4885HTT 673/4885ALDH1A1 2556/4885

“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.