SCHEMBL6693898

SCHEMBL6693898

CN1C(=O)C2=C(c3ccccc3)NC(=O)C2=C1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.45
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
GSK3B P49841 5/20 0.40
EP300 Q09472 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
PDE5A O76074 1/20 0.33
CASP3 P42574 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
SCHEMBL13883926 0.98 PTGS2 (0.44) PTGS2NR1H2NR1H3GSK3BPDE5A
SCHEMBL8759244 0.93 GSK3B (0.43) PTGS2NR1H2NR1H3GSK3B
SCHEMBL18138113 0.86 APP (0.35) PTGS2
SCHEMBL6859504 0.86 PTGS2 (0.41) PTGS2GSK3B
SCHEMBL21419681 0.81 GSK3B (0.36) PTGS2GSK3BSIRT2SIRT1
SCHEMBL19304186 0.81 PTGS2 (0.37) PTGS2GSK3B
SCHEMBL5070001 0.80 NR1H2 (0.52) PTGS2NR1H2NR1H3SIRT2SIRT1
SCHEMBL5124277 0.80 GSK3B (0.41) NR1H2NR1H3GSK3B
SCHEMBL5124396 0.79 GRK5 (0.42) PTGS2NR1H2NR1H3GSK3B
SCHEMBL22591650 0.79 PTGS2 (0.34) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230050869-A1 THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH TOYO INK SC HOLDINGS CO., LTD. (JP) 2023-02-16 US disclosed
US-8883889-B2 Pigment compositions comprising pyrrolo[3,4-c]pyrroles BASF SE (DE) 2014-11-11 US disclosed
US-8883889-B2 Pigment compositions comprising pyrrolo[3,4-c]pyrroles BASF SE (DE) 2014-11-11 US disclosed
US-20070117889-A1 Process for the direct preparation of pyrrolo[3,4-C]pyrroles RUFFIEUX VINCENT 2007-05-24 US disclosed
US-20070117889-A1 Process for the direct preparation of pyrrolo[3,4-C]pyrroles RUFFIEUX VINCENT 2007-05-24 US disclosed
US-7186847-B2 From a pyrrolidinone compound; coloring high molecular weight material CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-03-06 US disclosed
US-7186847-B2 From a pyrrolidinone compound; coloring high molecular weight material CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-03-06 US disclosed
WO-2004092174-A1 PYRROLOPYRROLES USED AS FLUORESCENT LABELS FOR BIOMOLECULES AND SPHERICAL PARTICLES CHROMEON GMBH (DE) 2004-10-28 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-20070117889-A1 Process for the direct preparation of pyrrolo[3,4-C]pyrroles PAX3, PPOX, FIP1L1 PTGS2 582/4885NR1H2 4455/4885NR1H3 4488/4885

“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.