SCHEMBL5540729

SCHEMBL5540729

O=C(OCc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cc(/N=N/c2ccc(O)c(C(=O)OCc3ccc(N4C(=O)c5ccccc5C4=O)cc3)c2)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 7/20 0.50
TDP1 Q9NUW8 1/20 0.44
PIM3 Q86V86 1/20 0.43
HIPK4 Q8NE63 1/20 0.43
SCN2A Q99250 1/20 0.43
NR1H2 P55055 2/20 0.43
PPARA Q07869 3/20 0.43
PPARD Q03181 2/20 0.43
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
POLB P06746 1/20 0.41
EGFR P00533 2/20 0.40
PPARG P37231 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
SCHEMBL10085268 0.91 NR1H3 (0.48) NR1H3TDP1PIM3HIPK4SCN2A
SCHEMBL5542353 0.89 NR1H3 (0.52) NR1H3TDP1PIM3HIPK4SCN2A
SCHEMBL5541967 0.89 NR1H3 (0.54) NR1H3PIM3HIPK4SCN2ANR1H2
SCHEMBL5538981 0.85 TDP1 (0.62) NR1H3TDP1PIM3HIPK4SCN2A
SCHEMBL5540866 0.83 SLC7A11 (0.59)
SCHEMBL5539344 0.82 NR1H3 (0.47) NR1H3TDP1PIM3HIPK4SCN2A
SCHEMBL5542264 0.79 KMT2A (0.60) TDP1POLB
SCHEMBL5582297 0.78 NR1H3 (0.41) NR1H3TDP1PIM3HIPK4SCN2A
SCHEMBL10085968 0.77 NR1H3 (0.43) NR1H3TDP1PIM3HIPK4SCN2A
SCHEMBL5536153 0.77 SMN1; SMN2 (0.56)

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 585/4885TDP1 4039/4885PIM3 4432/4885

“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.