SCHEMBL5582297

SCHEMBL5582297

O=C(OCc1cccc(N2OCc3ccccc3C2=O)c1)c1cc(/N=N/c2ccc(O)c(C(=O)OCc3cccc(N4C(=O)c5ccccc5C4=O)c3)c2)ccc1O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 4/20 0.41
NR1H2 P55055 1/20 0.41
GRM5 P41594 2/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TDP1 Q9NUW8 1/20 0.33
PIM3 Q86V86 1/20 0.33
HIPK4 Q8NE63 1/20 0.33
SCN2A Q99250 1/20 0.33
MAPT P10636 1/20 0.32
EGFR P00533 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5542353 0.88 NR1H3 (0.52) NR1H3NR1H2GRM5MEN1KMT2A
SCHEMBL5540729 0.78 NR1H3 (0.50) NR1H3NR1H2TDP1PIM3HIPK4
SCHEMBL5535974 0.76 TDP1 (0.58) NR1H3NR1H2GRM5MEN1KMT2A
SCHEMBL5536254 0.73 SLC7A11 (0.58) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL5542264 0.72 KMT2A (0.60) MEN1KMT2ATDP1POLBTSHR
SCHEMBL5541967 0.71 NR1H3 (0.54) NR1H3NR1H2PIM3HIPK4SCN2A
SCHEMBL10085268 0.71 NR1H3 (0.48) NR1H3NR1H2TDP1PIM3HIPK4
SCHEMBL5539344 0.71 NR1H3 (0.47) NR1H3NR1H2MEN1KMT2ATDP1
SCHEMBL5536153 0.68 SMN1; SMN2 (0.56) MEN1KMT2AMAPTTSHRHSD17B10
SCHEMBL10085968 0.66 NR1H3 (0.43) NR1H3NR1H2MEN1KMT2ATDP1

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 1 patent. 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

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 398/4885GRM5 632/4885

“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.