SCHEMBL864426

SCHEMBL864426

Cc1ccc(NCC(O)C(O)C(O)CO)cc1N

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
TDP1 Q9NUW8 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.43
CASP1 P29466 1/20 0.38
SPHK1 Q9NYA1 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 6/20 0.36
CYP3A4 P08684 1/20 0.33
EGFR P00533 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CFTR P13569 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
SCHEMBL10254545 1.00 MAPT (0.47) MAPTTDP1SMN1; SMN2MAPK1LMNA
SCHEMBL9651830 0.86 MAPT (0.50) MAPTTDP1SMN1; SMN2MAPK1LMNA
SCHEMBL6282270 0.85 TDP1 (0.43) MAPTTDP1SMN1; SMN2MAPK1LMNA
SCHEMBL11312217 0.84 MAPT (0.45) MAPTTDP1SMN1; SMN2MAPK1LMNA
SCHEMBL6287761 0.79 KDM4E (0.44) MAPTTDP1SMN1; SMN2MAPK1LMNA
SCHEMBL6286875 0.77 KDM4E (0.38) MAPTTDP1SMN1; SMN2MAPK1LMNA
SCHEMBL864627 0.77 KMT2A (0.46) MAPTTDP1SMN1; SMN2MAPK1LMNA
SCHEMBL10251536 0.77 KMT2A (0.46) MAPTTDP1SMN1; SMN2MAPK1LMNA
SCHEMBL6290916 0.77 KDM4E (0.36) MAPTTDP1SMN1; SMN2MAPK1LMNA
SCHEMBL6287377 0.76 KDM4E (0.37) MAPTTDP1SMN1; SMN2MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 US disclosed
EP-2320734-A1 FLAVIN DERIVATIVES BioRelix, Inc. (US) 2011-05-18 EP disclosed
WO-2010019208-A1 FLAVIN DERIVATIVES BIORELIX PHARMACEUTICALS, INC. (US) 2010-02-18 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-20120077781-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS MAPT 4674/4885TDP1 763/4885SMN1; SMN2 4259/4885

“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.