SCHEMBL5045569

SCHEMBL5045569

NCc1ccc(C(N)=NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PARP10 Q53GL7 1/20 0.43
MAOB P27338 1/20 0.43
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 2/20 0.41
PLA2G10 O15496 1/20 0.41
PLA2G2A P14555 1/20 0.41
PLAU P00749 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LOXL2 Q9Y4K0 2/20 0.41
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL5177381 1.00 LMNA (0.45) LMNASLC6A2SLC6A3KMT2ATDP1
Hydrochloric Acid SCHEMBL5045565 0.99 MAOB (0.45) LMNASLC6A2SLC6A3KMT2ATDP1
Hydrochloric Acid SCHEMBL5045567 0.99 MAOB (0.45) LMNASLC6A2SLC6A3KMT2ATDP1
Hydrochloric Acid SCHEMBL15251682 0.94 KMT2A (0.45) LMNASLC6A2SLC6A3KMT2ATDP1
SCHEMBL6654456 0.88 NR4A1 (0.51) LMNASLC6A2SLC6A3KMT2ATDP1
SCHEMBL7399817 0.87 RAB9A (0.49) LMNASLC6A2SLC6A3KMT2ATDP1
SCHEMBL7404735 0.86 ALDH1A1 (0.50) LMNASLC6A2SLC6A3KMT2ATDP1
SCHEMBL6645702 0.86 LMNA (0.45) LMNASLC6A2SLC6A3KMT2ATDP1
SCHEMBL6645697 0.86 LMNA (0.45) LMNASLC6A2SLC6A3KMT2ATDP1
SCHEMBL7367834 0.82 RAB9A (0.46) LMNASLC6A2SLC6A3KMT2ATDP1

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 LMNA 1694/4885SLC6A2 2649/4885SLC6A3 2702/4885

“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.