SCHEMBL7595288

SCHEMBL7595288

COc1nc2cc([N+](=O)[O-])c(C)c(C(=O)NC(Cc3ccccc3)C(=O)O)c2nc1OC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.43
GPR132 Q9UNW8 3/20 0.42
ACE P12821 2/20 0.41
FPR2 P25090 2/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
KMT2A Q03164 1/20 0.40
ALOX15 P16050 1/20 0.40
KDM4A O75164 1/20 0.40
PTPN1 P18031 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL7595262 1.00 L3MBTL1 (0.47) L3MBTL1ALDH1A1LMNAGPR132ACE
SCHEMBL7594981 0.84 SMN1; SMN2 (0.47) L3MBTL1ALDH1A1LMNAKMT2AGAA
SCHEMBL7598494 0.78 KMT2A (0.38) L3MBTL1ALDH1A1LMNAKMT2A
SCHEMBL17561045 0.72 ALDH1A1 (0.67) L3MBTL1ALDH1A1LMNAGPR132ACE
SCHEMBL19376845 0.72 ALDH1A1 (0.67) L3MBTL1ALDH1A1LMNAGPR132ACE
SCHEMBL7593974 0.71 IMPDH2 (0.35) ALDH1A1KMT2A
SCHEMBL28611563 0.69 CTSD (0.56) L3MBTL1ALDH1A1LMNAKMT2AKDM4A
SCHEMBL1613373 0.69 L3MBTL1 (0.56) L3MBTL1GPR132ACEITGB1ITGA4
SCHEMBL8588574 0.68 CA2 (0.59) L3MBTL1ALDH1A1LMNAGPR132ACE
SCHEMBL6938746 0.68 CA2 (0.59) L3MBTL1ALDH1A1LMNAGPR132ACE

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 L3MBTL1 1451/4885ALDH1A1 2556/4885LMNA 1494/4885

“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.