SCHEMBL7598494

SCHEMBL7598494

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.38
MEN1 O00255 6/20 0.38
POLB P06746 5/20 0.38
LMNA P02545 3/20 0.38
GALR2 O43603 1/20 0.38
CYP2C9 P11712 1/20 0.36
MAPT P10636 3/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
HPGDS O60760 1/20 0.35
NPC1 O15118 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL7592279 0.88 SMN1; SMN2 (0.38) KMT2AMEN1POLBLMNAGALR2
SCHEMBL7593494 0.86 TPMT (0.41) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL7596330 0.85 LMNA (0.36) KMT2AMEN1POLBLMNAGALR2
SCHEMBL7594081 0.84 ALDH1A1 (0.52) KMT2AMEN1POLBLMNAMAPT
SCHEMBL7596324 0.84 KMT2A (0.46) KMT2AMEN1POLBLMNAGALR2
SCHEMBL7593978 0.83 IMPDH2 (0.39) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL7593597 0.82 ALDH1A1 (0.36) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL7594981 0.82 SMN1; SMN2 (0.47) KMT2AMEN1POLBLMNASMN1; SMN2
SCHEMBL7960036 0.80 ALDH1A1 (0.40) POLBLMNAGALR2CYP2C9MAPT
SCHEMBL7595288 0.78 L3MBTL1 (0.47) KMT2ALMNAALDH1A1L3MBTL1

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 3481/4885MEN1 4080/4885POLB 2136/4885

“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.