SCHEMBL5754525

SCHEMBL5754525

CC(C)(C)OC(=O)NN=C1CCSc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
PKM P14618 1/20 0.45
CASP6 P55212 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
CTSL P07711 8/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL6961978 0.80 SMN1; SMN2 (0.67) ALDH1A1MAPTPKMCASP6SMN1; SMN2
SCHEMBL6961982 0.80 SMN1; SMN2 (0.67) ALDH1A1MAPTPKMCASP6SMN1; SMN2
SCHEMBL20583518 0.74 CASP6 (0.60) ALDH1A1MAPTPKMCASP6SMN1; SMN2
SCHEMBL20583519 0.74 CASP6 (0.60) ALDH1A1MAPTPKMCASP6SMN1; SMN2
SCHEMBL29354952 0.73 CTSL (0.67) HPGDNPSR1ALDH1A1MAPTPLA2G1B
SCHEMBL28865215 0.73 CTSL (0.67) HPGDNPSR1ALDH1A1MAPTPLA2G1B
SCHEMBL12609454 0.70 MAPT (0.71) HPGDNPSR1ALDH1A1MAPTPLA2G1B
SCHEMBL15595501 0.69 SMN1; SMN2 (0.57) HPGDALDH1A1MAPTPLA2G1BATG4B
SCHEMBL13114093 0.68 HPGD (0.68) HPGDNPSR1ALDH1A1MAPTPLA2G1B
SCHEMBL7971943 0.68 HPGD (1.00) HPGDNPSR1ALDH1A1MAPTPLA2G1B

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
EP-1325002-B1 1,2,5,10-TETRAHYDROPYRIDAZINO¬4,5-B|QUINOLINE-1,10-DIONES AND THEIR USE FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2006-05-24 EP disclosed
US-6833368-B2 Tackykinin antagonist ASTRAZENECA AB (SE) 2004-12-21 US disclosed
US-20040058927-A1 1, 2, 5, 10-tetrahydropyridazino[4, 5-b]quinoline-1,10-diones and their use for the treatment of pain ASTRAZENECA AB (SE) 2004-03-25 US disclosed
EP-1325002-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-2002026738-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-20040058927-A1 1, 2, 5, 10-tetrahydropyridazino[4, 5-b]quinoline-1,10-diones and their use for the treatment of pain OPRK1, OPRM1, OPRD1 HPGD 580/4885NPSR1 583/4885ALDH1A1 96/4885

“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.