SCHEMBL7594081

SCHEMBL7594081

COc1nc2cc([N+](=O)[O-])c(C)c(C(=O)Nc3ccccc3)c2nc1OC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 9/20 0.48
KMT2A Q03164 9/20 0.48
GAA P10253 2/20 0.46
POLB P06746 1/20 0.43
ALOX5 P09917 1/20 0.43
SMN1; SMN2 Q16637 6/20 0.42
MAPT P10636 5/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
MAPK1 P28482 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL7594981 0.85 SMN1; SMN2 (0.47) ALDH1A1CYP3A4MEN1KMT2AGAA
SCHEMBL7598494 0.84 KMT2A (0.38) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL7593494 0.83 TPMT (0.41) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL7592279 0.82 SMN1; SMN2 (0.38) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL7595262 0.81 L3MBTL1 (0.47) ALDH1A1KMT2AGAALMNA
SCHEMBL7595288 0.81 L3MBTL1 (0.47) ALDH1A1KMT2AGAALMNA
SCHEMBL7593978 0.80 IMPDH2 (0.39) ALDH1A1CYP3A4MEN1KMT2AGAA
SCHEMBL7596330 0.79 LMNA (0.36) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL7596324 0.78 KMT2A (0.46) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL7593597 0.76 ALDH1A1 (0.36) ALDH1A1TSHRTDP1MEN1KMT2A

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 2556/4885CYP3A4 3639/4885TSHR 629/4885

“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.