SCHEMBL5539344

SCHEMBL5539344

O=C(OCc1ccccc1N1C(=O)c2ccccc2C1=O)c1cc(/N=N/c2ccc(O)c(C(=O)OCc3ccccc3N3C(=O)c4ccccc4C3=O)c2)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 4/20 0.47
NR1H2 P55055 2/20 0.40
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
EGFR P00533 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PDE4A P27815 1/20 0.39
BLVRB P30043 1/20 0.39
KDR P35968 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
APP P05067 1/20 0.36
THRB P10828 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
SCHEMBL10085968 0.94 NR1H3 (0.43) NR1H3NR1H2ESR1ESR2EGFR
SCHEMBL5541780 0.85 TDP1 (0.51) NR1H3NR1H2MEN1KMT2ATDP1
SCHEMBL5534853 0.83 SLC7A11 (0.59) MEN1KMT2ABLVRBCA1CA2
SCHEMBL5540729 0.82 NR1H3 (0.50) NR1H3NR1H2EGFRTDP1PIM3
SCHEMBL5542353 0.81 NR1H3 (0.52) NR1H3NR1H2ESR1EGFRMEN1
SCHEMBL5542264 0.79 KMT2A (0.60) ESR1MEN1KMT2APDE4ABLVRB
SCHEMBL5536153 0.77 SMN1; SMN2 (0.56) MEN1KMT2A
SCHEMBL5541967 0.76 NR1H3 (0.54) NR1H3NR1H2EGFRPIM3HIPK4
SCHEMBL10085268 0.74 NR1H3 (0.48) NR1H3NR1H2EGFRTDP1PIM3
SCHEMBL5582297 0.71 NR1H3 (0.41) NR1H3NR1H2EGFRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115817-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF-ALPHA MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S.A. (BR) 2012-05-10 US disclosed
US-20120115817-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF-ALPHA MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S.A. (BR) 2012-05-10 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-20120115817-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF-ALPHA MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES TNF, PER2, CRY1 NR1H3 585/4885NR1H2 398/4885ESR1 3827/4885

“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.