SCHEMBL5041848

SCHEMBL5041848

N#Cc1ccc(C=NO)c(Oc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.60
ALDH1A1 P00352 2/20 0.60
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 2/20 0.48
MAPT P10636 1/20 0.47
CHEK2 O96017 1/20 0.45
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
AR P10275 3/20 0.41
CYP19A1 P11511 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PTGS1 P23219 1/20 0.35

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
SCHEMBL5041847 1.00 HPGD (0.60) HPGDALDH1A1LMNAL3MBTL1HTT
SCHEMBL5037397 0.81 LMNA (0.57) ALDH1A1LMNACHEK2CSNK1A1CSNK1D
SCHEMBL1794499 0.79 AR (0.44) HPGDALDH1A1LMNAL3MBTL1HTT
SCHEMBL1794498 0.79 AR (0.44) HPGDALDH1A1LMNAL3MBTL1HTT
SCHEMBL8923282 0.76 HPGD (1.00) HPGDALDH1A1LMNAL3MBTL1HTT
SCHEMBL8923284 0.76 HPGD (1.00) HPGDALDH1A1LMNAL3MBTL1HTT
SCHEMBL3932262 0.75 AR (0.47) CHEK2ARCYP19A1SLC6A4PTGS1
SCHEMBL30515469 0.73 AR (0.58) ALDH1A1LMNACHEK2CSNK1A1CSNK1D
SCHEMBL3421698 0.73 AR (0.58) ALDH1A1LMNACHEK2CSNK1A1CSNK1D
SCHEMBL5045407 0.72 APP (0.42) HPGDALDH1A1LMNAL3MBTL1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 WO 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-20040122057-A1 Novel mandelic acid derivatives F7, F11, F9 HPGD 2678/4885ALDH1A1 519/4885LMNA 1694/4885

“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.