SCHEMBL4296566

SCHEMBL4296566

CCOC(=O)c1cn(-c2ccccc2)nc1C(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.61
MAPK1 P28482 1/20 0.61
NPC1 O15118 6/20 0.59
RAB9A P51151 4/20 0.59
ALDH1A1 P00352 7/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
GLA P06280 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
POLB P06746 2/20 0.51
MAPT P10636 6/20 0.48
CHEK1 O14757 1/20 0.48
EGFR P00533 1/20 0.48
KDR P35968 1/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 3/20 0.47
TSHR P16473 2/20 0.47

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
SCHEMBL6035293 0.84 NPSR1 (0.47) NPSR1MAPK1NPC1RAB9AALDH1A1
SCHEMBL6172144 0.83 NPSR1 (0.67) NPSR1MAPK1NPC1RAB9AALDH1A1
SCHEMBL4854443 0.82 NPC1 (0.67) NPSR1MAPK1NPC1RAB9AALDH1A1
SCHEMBL4294367 0.82 ALDH1A1 (0.52) NPSR1ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL20028758 0.81 NPSR1 (0.64) NPSR1MAPK1NPC1RAB9AALDH1A1
SCHEMBL22209257 0.81 NPSR1 (0.64) NPSR1MAPK1NPC1RAB9AALDH1A1
SCHEMBL2079861 0.81 NPSR1 (0.64) NPSR1MAPK1NPC1RAB9AALDH1A1
SCHEMBL5230576 0.81 NPSR1 (0.58) NPSR1MAPK1NPC1RAB9AALDH1A1
SCHEMBL4291837 0.80 NPSR1 (0.62) NPSR1MAPK1NPC1RAB9AALDH1A1
SCHEMBL22331103 0.80 NPSR1 (0.86) NPSR1MAPK1NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
EP-2044055-A2 AMIDE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-04-08 EP disclosed
WO-2008011131-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO disclosed
WO-2008011131-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 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-20090286791-A1 Amide Compounds DLAT, DGAT2, DGAT1 NPSR1 3199/4885MAPK1 2663/4885NPC1 214/4885

“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.