SCHEMBL5536153

SCHEMBL5536153

O=C(OCCN1C(=O)c2ccccc2C1=O)c1cc(/N=N/c2ccc(O)c(C(=O)OCCN3C(=O)c4ccccc4C3=O)c2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 2/20 0.54
PKM P14618 1/20 0.54
HSD17B10 Q99714 1/20 0.54
GLA P06280 1/20 0.52
BRCA1 P38398 1/20 0.52
LMNA P02545 1/20 0.51
TSHR P16473 3/20 0.50
MAPK1 P28482 2/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL5542264 0.88 KMT2A (0.60) SMN1; SMN2ALDH1A1HSD17B10TSHRHPGD
SCHEMBL577432 0.83 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1PKMHSD17B10GLA
SCHEMBL2689400 0.82 SLC7A11 (0.63) ALDH1A1LMNATSHRMAPK1MAPT
SCHEMBL5541967 0.80 NR1H3 (0.54) ALDH1A1
SCHEMBL5540729 0.77 NR1H3 (0.50)
SCHEMBL5539344 0.77 NR1H3 (0.47) MEN1KMT2A
SCHEMBL5542353 0.75 NR1H3 (0.52) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL10085968 0.72 NR1H3 (0.43) MEN1KMT2A
SCHEMBL12931735 0.71 CA12 (0.59) SMN1; SMN2ALDH1A1HSD17B10TSHRGAA
SCHEMBL10085967 0.71 KMT2A (0.62) SMN1; SMN2ALDH1A1PKMHSD17B10BRCA1

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 SMN1; SMN2 4021/4885ALDH1A1 1677/4885PKM 1557/4885

“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.