SCHEMBL2774523

SCHEMBL2774523

N#Cc1cccc(CNCC(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.52
FFAR4 Q5NUL3 1/20 0.52
VNN1 O95497 4/20 0.52
ERCC1 P07992 1/20 0.51
ERCC4 Q92889 1/20 0.51
LMNA P02545 1/20 0.50
DPP7 Q9UHL4 1/20 0.49
MEP1B Q16820 2/20 0.49
MEP1A Q16819 1/20 0.49
SCN8A Q9UQD0 1/20 0.48
MAOA P21397 2/20 0.47
KDM1A O60341 1/20 0.47
MAOB P27338 1/20 0.47
PDCD1 Q15116 2/20 0.46
CD274 Q9NZQ7 2/20 0.46
FOLH1 Q04609 1/20 0.46
NOS1 P29475 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL534926 0.88 FFAR1 (0.53) FFAR1FFAR4VNN1ERCC1ERCC4
SCHEMBL3461756 0.81 ERCC1 (0.60) FFAR1FFAR4VNN1ERCC1ERCC4
SCHEMBL2489141 0.80 SCN8A (0.51) FFAR1VNN1ERCC1ERCC4DPP7
SCHEMBL5352838 0.80 LOXL2 (0.53) FFAR1VNN1
SCHEMBL29860036 0.79 SCN8A (0.47) FFAR1FFAR4VNN1ERCC1ERCC4
SCHEMBL3491515 0.79 FFAR1 (0.72) FFAR1FFAR4LMNA
SCHEMBL335418 0.78 LMNA (0.56) FFAR1FFAR4VNN1ERCC1ERCC4
SCHEMBL5115918 0.78 FFAR1 (0.52) FFAR1FFAR4VNN1ERCC1ERCC4
SCHEMBL410123 0.78 SCN8A (0.57) VNN1ERCC1ERCC4DPP7MEP1B
SCHEMBL30909992 0.77 SCN8A (0.51) FFAR1FFAR4VNN1ERCC1ERCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240182382-A1 ALIPHATIC 18F-RADIOLABELING OF A TETRAZINE PRECURSOR UNIV COPENHAGEN (DK) 2024-06-06 US disclosed
EP-4305009-A2 ALIPHATIC 18F-RADIOLABELING OF A TETRAZINE PRECURSOR University of Copenhagen (DK) 2024-01-17 EP disclosed
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
EP-2193125-A2 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2010-06-09 EP disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 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 (2 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-20240182382-A1 ALIPHATIC 18F-RADIOLABELING OF A TETRAZINE PRECURSOR NBAS, HRAS, NAA15 FFAR1 314/4885FFAR4 831/4885VNN1 748/4885
US-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 FFAR1 2906/4885FFAR4 3301/4885VNN1 4874/4885

“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.