SCHEMBL7598688

SCHEMBL7598688

CCOc1nccnc1OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LRRK2 Q5S007 1/20 0.44
GRM5 P41594 1/20 0.43
NQO1 P15559 1/20 0.43
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
NPC1 O15118 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
Ammonia Solution, Strong SCHEMBL28789679 0.97 HPGD (0.50) HPGDSMN1; SMN2LRRK2GRM5NQO1
SCHEMBL16579445 0.89 HPGD (0.45) HPGDSMN1; SMN2LRRK2GRM5NQO1
SCHEMBL2490706 0.84 HPGD (0.45) HPGDSMN1; SMN2LRRK2GRM5NQO1
SCHEMBL11509960 0.82 HPGD (0.44) HPGDSMN1; SMN2LRRK2GRM5NQO1
SCHEMBL28863144 0.82 HPGD (0.44) HPGDSMN1; SMN2LRRK2GRM5NQO1
SCHEMBL2585538 0.82 SMN1; SMN2 (0.44) HPGDSMN1; SMN2LRRK2GRM5NQO1
SCHEMBL2586207 0.78 SMN1; SMN2 (0.41) HPGDSMN1; SMN2LRRK2GRM5NQO1
SCHEMBL21725564 0.78 SMN1; SMN2 (0.41) HPGDSMN1; SMN2LRRK2GRM5NQO1
SCHEMBL430323 0.78 HPGD (0.41) HPGDSMN1; SMN2LRRK2GRM5NQO1
SCHEMBL11437617 0.78 SMN1; SMN2 (0.43) HPGDSMN1; SMN2LRRK2GRM5NQO1

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 HPGD 938/4885SMN1; SMN2 201/4885LRRK2 1859/4885

“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.