SCHEMBL4680964

SCHEMBL4680964

CCCOc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.52
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
S1PR4 O95977 1/20 0.44
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
NPC1 O15118 2/20 0.41
NFKB1 P19838 2/20 0.41
RAB9A P51151 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 2/20 0.40
DHODH Q02127 1/20 0.40
NLRP3 Q96P20 1/20 0.39
CASP3 P42574 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL4676272 0.88 DHODH (0.46) CNR1SMN1; SMN2ALDH1A1NPC1NFKB1
SCHEMBL4678418 0.79 CNR1 (0.57) CNR1
SCHEMBL4676300 0.76 SMN1; SMN2 (0.52) CNR1SMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL5754413 0.76 CNR1 (0.50) CNR1SMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL4680862 0.75 CNR1 (0.59) CNR1SMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL4680740 0.74 SMN1; SMN2 (0.47) CNR1SMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL4680181 0.72 CNR1 (0.52) CNR1SMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL8040909 0.72 CNR1 (0.43) CNR1SLC6A3NLRP3
SCHEMBL4677739 0.72 LIPE (0.52) CNR1
SCHEMBL2464043 0.70 KDM4E (0.56) SMN1; SMN2ALDH1A1L3MBTL1KDM4EPKM

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
EP-1638953-B1 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS ASTRAZENECA AB (SE) 2008-08-27 EP disclosed
US-20070093484-A1 3-Substituted 5,6-diaryl-pyrazine-2-carboxamide and -2-sulfonamide derivatives as cb1 modulators ASTRAZENECA AB (SE) 2007-04-26 US disclosed
EP-1638953-A1 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS AstraZeneca AB (SE) 2006-03-29 EP disclosed
WO-2004111034-A1 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS ASTRAZENECA AB (SE) 2004-12-23 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-20070093484-A1 3-Substituted 5,6-diaryl-pyrazine-2-carboxamide and -2-sulfonamide derivatives as cb1 modulators CNR2, CNR1, FAAH CNR1 2/4885SMN1; SMN2 1244/4885ALDH1A1 3008/4885

“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.