SCHEMBL7598451

SCHEMBL7598451

O=C(O)CNc1cccc2c1Cc1ccccc1S2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
CD69 Q07108 3/20 0.39
KDM4E B2RXH2 3/20 0.39
PARP1 P09874 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
LMNA P02545 2/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
MAPT P10636 1/20 0.33
MME P08473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AGTR1 P30556 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
SCHEMBL8655376 0.78 RAB9A (0.60) ALDH1A1HPGDCD69KDM4EPARP1
SCHEMBL7575188 0.75 AKR1B1 (0.43) ALDH1A1HPGDCD69KDM4EMEN1
SCHEMBL24037161 0.75 MEN1 (0.43) ALDH1A1HPGDKDM4ERAB9ANPC1
SCHEMBL11372622 0.74 ALDH1A1 (0.40) ALDH1A1MMEPTGS2
SCHEMBL7556216 0.73 TRPA1 (0.49) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL1470487 0.72 ALDH1A1 (0.47) ALDH1A1HPGDKDM4ERAB9ANPC1
SCHEMBL5692314 0.71 PARP1 (0.51) ALDH1A1HPGDKDM4EPARP1RAB9A
SCHEMBL11823622 0.71 ALDH1A1 (0.42) ALDH1A1HPGDCD69KDM4EMEN1
Benzophenone SCHEMBL28087563 0.71 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMEN1KMT2A
Thioxanthene SCHEMBL27437631 0.71 ALDH1A1 (0.49) ALDH1A1HPGDCD69KDM4EMEN1

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 ALDH1A1 2556/4885HPGD 938/4885CD69 4840/4885

“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.