SCHEMBL5580040

SCHEMBL5580040

O=C(NN1COc2ccccc2C1=O)c1cc(/N=N/c2ccc(O)c(C(=O)NN3C(=O)c4ccccc4C3=O)c2)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.49
PTGS2 P35354 2/20 0.49
LMNA P02545 4/20 0.36
MEN1 O00255 8/20 0.35
KMT2A Q03164 8/20 0.35
BLVRB P30043 2/20 0.35
PDE4A P27815 1/20 0.35
KDR P35968 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 2/20 0.34
GLO1 Q04760 1/20 0.33
CYP2C19 P33261 1/20 0.33
APP P05067 1/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 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
SCHEMBL10086279 0.85 PTGS1 (0.67) PTGS1PTGS2LMNAMEN1KMT2A
SCHEMBL5582372 0.80 SLC7A11 (0.61) LMNAMEN1KMT2ABLVRBMAPT
SCHEMBL5539370 0.69 SLC7A11 (0.71) LMNAMEN1KMT2ABLVRBMAPT
SCHEMBL577155 0.68 PTGS1 (1.00) PTGS1PTGS2LMNAMEN1KMT2A
SCHEMBL11806217 0.62 PTGS1 (0.78) PTGS1PTGS2LMNAMEN1KMT2A
SCHEMBL11810849 0.62 PTGS1 (0.78) PTGS1PTGS2LMNAMEN1KMT2A
SCHEMBL11828660 0.61 PTGS1 (0.76) PTGS1PTGS2LMNAMEN1KMT2A
SCHEMBL5542264 0.61 KMT2A (0.60) MEN1KMT2ABLVRBPDE4AKDR
SCHEMBL11808596 0.61 PTGS1 (0.75) PTGS1PTGS2LMNAMEN1KMT2A
SCHEMBL11808288 0.61 PTGS1 (0.75) PTGS1PTGS2LMNAMEN1KMT2A

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 PTGS1 8/4885PTGS2 12/4885LMNA 3838/4885

“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.