SCHEMBL3977484

SCHEMBL3977484

CCNC=C(C(=O)OCC)C(=O)c1cc(I)cnc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.43
ALDH1A1 P00352 3/20 0.39
CYP2D6 P10635 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 6/20 0.37
GAA P10253 4/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
DHODH Q02127 4/20 0.35
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL3977483 1.00 NPSR1 (0.43) NPSR1ALDH1A1CYP2D6SMN1; SMN2MAPT
SCHEMBL3707407 0.86 NPSR1 (0.43) NPSR1ALDH1A1CYP2D6SMN1; SMN2MAPT
SCHEMBL3707402 0.86 NPSR1 (0.43) NPSR1ALDH1A1CYP2D6SMN1; SMN2MAPT
SCHEMBL7850181 0.82 NPSR1 (0.45) NPSR1ALDH1A1CYP2D6SMN1; SMN2MAPT
SCHEMBL8202831 0.79 NPSR1 (0.44) NPSR1ALDH1A1CYP2D6SMN1; SMN2MAPT
SCHEMBL6288505 0.76 ABCB1 (0.37) NPSR1ALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL6288504 0.76 ABCB1 (0.37) NPSR1ALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL9383978 0.76 CASP1 (0.47) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL5962128 0.73 CYP2D6 (0.40) NPSR1ALDH1A1CYP2D6SMN1; SMN2MAPT
SCHEMBL3700357 0.72 CNR2 (0.31) NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569550-B2 14 and 15 membered ring compounds GLAXO GROUP LIMITED (GB) 2009-08-04 US disclosed
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
EP-1824871-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
US-20070185117-A1 Novel 14 and 15 membrered ring compounds GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
EP-1628988-B1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LTD (GB) 2006-10-04 EP disclosed
WO-2006050940-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 WO disclosed
EP-1628988-A1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-03-01 EP disclosed
WO-2004101586-A1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-11-25 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-20070185117-A1 Novel 14 and 15 membrered ring compounds CYP51A1, LSS, IL17A NPSR1 2878/4885ALDH1A1 2827/4885CYP2D6 261/4885
US-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 NPSR1 3825/4885ALDH1A1 4011/4885CYP2D6 60/4885

“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.