SCHEMBL1028378

SCHEMBL1028378

CCOC(=O)[C@H]1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RAB9A P51151 4/20 0.48
L3MBTL1 Q9Y468 5/20 0.48
PTK2 Q05397 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
NPC1 O15118 2/20 0.45
MAPK1 P28482 2/20 0.45
GLA P06280 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NR4A1 P22736 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
SCHEMBL1030587 0.90 MAPT (0.50) MAPTALDH1A1NPSR1RAB9AL3MBTL1
SCHEMBL1030789 0.90 MAPT (0.50) MAPTALDH1A1NPSR1RAB9AL3MBTL1
SCHEMBL4051684 0.90 MAPT (0.50) MAPTALDH1A1NPSR1RAB9AL3MBTL1
SCHEMBL3952332 0.85 MAPT (0.50) MAPTALDH1A1NPSR1RAB9AL3MBTL1
SCHEMBL1030542 0.84 MAPT (0.49) MAPTALDH1A1NPSR1RAB9AL3MBTL1
SCHEMBL4054661 0.84 MAPT (0.49) MAPTALDH1A1NPSR1RAB9AL3MBTL1
SCHEMBL1026317 0.82 POLB (0.49) MAPTALDH1A1NPSR1RAB9AL3MBTL1
SCHEMBL4687835 0.76 NPSR1 (0.65) MAPTALDH1A1NPSR1RAB9AL3MBTL1
SCHEMBL29538166 0.76 NPSR1 (0.65) MAPTALDH1A1NPSR1RAB9AL3MBTL1
SCHEMBL1030531 0.76 L3MBTL1 (0.57) ALDH1A1NPSR1RAB9AL3MBTL1PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814855-B1 DICARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-19 EP disclosed
US-20090270360-A1 DICARBOXAMIDE DERIVATIVES BOEHRINGER MARKUS 2009-10-29 US disclosed
US-7501413-B2 Dicarboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US disclosed
US-20060106016-A1 Dicarboxamide derivatives HOFFMANN-LA ROCHE INC. 2006-05-18 US 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-20060106016-A1 Dicarboxamide derivatives F2, F12, TFPI MAPT 3567/4885ALDH1A1 1180/4885NPSR1 1868/4885
US-20090270360-A1 DICARBOXAMIDE DERIVATIVES F2, F12, TFPI MAPT 3567/4885ALDH1A1 1180/4885NPSR1 1868/4885

“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.