SCHEMBL5582371

SCHEMBL5582371

O=Cc1ccccc1C(=O)NCCOC(=O)c1cc(/N=N/c2ccc(O)c(C(=O)OCCN3COc4ccccc4C3=O)c2)ccc1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.32
MDM2 Q00987 1/20 0.32
ERN1 O75460 1/20 0.31
NME4 O00746 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CHRM1 P11229 1/20 0.31
ADORA2A P29274 1/20 0.31
AVPR2 P30518 1/20 0.31
AGTR1 P30556 1/20 0.31
SLC6A4 P31645 1/20 0.31
AVPR1A P37288 1/20 0.31
HTR3A P46098 1/20 0.31
GCDH Q92947 1/20 0.31
SLC29A1 Q99808 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SIRT5 Q9NXA8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
POLB P06746 1/20 0.30
HSD17B10 Q99714 2/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL5582347 0.77 TDP1 (0.48) TDP1HSD17B10ALDH1A1PKMUSP2
SCHEMBL5582370 0.77 EGFR (0.36)
SCHEMBL5536153 0.69 SMN1; SMN2 (0.56) HSD17B10NPSR1ALDH1A1PKM
SCHEMBL8575194 0.66 KMT2A (0.55) TDP1ALDH1A1
SCHEMBL5580040 0.64 PTGS1 (0.49) TDP1HRH3HSD17B10KDM4ENPSR1
SCHEMBL8577745 0.63 KMT2A (0.48) TDP1HSD17B10NPSR1ALDH1A1
SCHEMBL5542264 0.63 KMT2A (0.60) TDP1POLBHSD17B10ALDH1A1
SCHEMBL5541967 0.61 NR1H3 (0.54) ALDH1A1
SCHEMBL13211925 0.60 MAPK1 (0.44) TP53POLBHSD17B10ALDH1A1
SCHEMBL8980560 0.59 PKM (0.36) TDP1KDM4ENPSR1PKM

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 TP53 4128/4885MDM2 4377/4885ERN1 4526/4885

“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.