SCHEMBL6502458

SCHEMBL6502458

O=C(c1ncccc1C1CC1)c1ncccc1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.44
PDK2 Q15119 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
AGER Q15109 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.39
HCAR2 Q8TDS4 2/20 0.37
SSTR4 P31391 3/20 0.37
SSTR1 P30872 2/20 0.37
CYP1A2 P05177 1/20 0.37
P2RX7 Q99572 2/20 0.36
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL6505283 0.93 KDM4E (0.43) HCRTR1PDK2KDM4EALDH1A1MAPT
SCHEMBL14862302 0.93 HCRTR1 (0.45) HCRTR1PDK2KDM4EALDH1A1MAPT
SCHEMBL3547214 0.87 KDM4E (0.53) HCRTR1PDK2KDM4EALDH1A1MAPT
SCHEMBL2241353 0.85 HCRTR1 (0.43) HCRTR1PDK2KDM4EALDH1A1MAPT
SCHEMBL16741011 0.81 HCRTR1 (0.48) HCRTR1PDK2KDM4EALDH1A1GAA
SCHEMBL3552336 0.81 L3MBTL1 (0.54) HCRTR1PDK2KDM4EALDH1A1ALOX15
SCHEMBL16394404 0.79 HCRTR1 (0.44) HCRTR1PDK2KDM4EALDH1A1MAPT
SCHEMBL27409124 0.79 KDM4E (0.55) HCRTR1KDM4EALDH1A1MAPTCYP3A4
Hydrochloric Acid SCHEMBL27819063 0.79 KDM4E (0.51) HCRTR1KDM4EALDH1A1MAPTCYP3A4
SCHEMBL2246378 0.79 KDM4E (0.41) HCRTR1PDK2KDM4EALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6946463-B2 1,2,5,10-tetrahydropyridazino[4,5-b]quinoline-1,10-diones and their use for the treatment of pain ASTRAZENECA AB (SE) 2005-09-20 US disclosed
US-20040053929-A1 1, 2, 5, 10-tetrahydropyridazino[4,5-b]quinoline-1,10-diones and their use for the treatment of pain ASTRAZENECA AB (SE) 2004-03-18 US disclosed
EP-1325004-A1 1,2,5,10-TETRAHYDROPYRIDAZINO[4,5-B]QUINOLINE-1,10-DIONES AND THEIR USE FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2003-07-09 EP disclosed
WO-2002026741-A1 1,2,5,10-TETRAHYDROPYRIDAZINO[4,5-b]QUINOLINE-1,10-DIONES AND THEIR USE FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2002-04-04 WO 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-20040053929-A1 1, 2, 5, 10-tetrahydropyridazino[4,5-b]quinoline-1,10-diones and their use for the treatment of pain OPRD1, OPRK1, ACHE HCRTR1 2523/4885PDK2 1029/4885KDM4E 2781/4885

“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.