SCHEMBL1733602

SCHEMBL1733602

CCN(CC)c1nc(C(N)=O)cc(-c2ccc(OC)c(OC)c2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.67
ADORA3 P0DMS8 2/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HSD17B10 Q99714 4/20 0.44
MAPK1 P28482 3/20 0.44
HPGD P15428 3/20 0.44
TSHR P16473 2/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
DHODH Q02127 1/20 0.42
GRM2 Q14416 1/20 0.41
PARP1 P09874 1/20 0.41

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
SCHEMBL1734177 0.86 KDM4E (0.73) KDM4EADORA3ALDH1A1MAPTMEN1
SCHEMBL1734461 0.83 KDM4E (0.72) KDM4EADORA3ALDH1A1MAPTHSD17B10
SCHEMBL1735496 0.83 KDM4E (0.65) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL1734279 0.83 KDM4E (0.64) KDM4EADORA3ALDH1A1MAPTMEN1
SCHEMBL1734327 0.82 KDM4E (0.70) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL1734502 0.82 KDM4E (0.57) KDM4EADORA3ALDH1A1MAPTMEN1
SCHEMBL1735810 0.82 KDM4E (0.78) KDM4EADORA3ALDH1A1MAPTMEN1
SCHEMBL1734511 0.82 KDM4E (0.66) KDM4EADORA3ALDH1A1MAPTHSD17B10
SCHEMBL1735539 0.82 KDM4E (0.70) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL1734416 0.81 KDM4E (0.69) KDM4EALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822451-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-02 US claimed
EP-1891018-B1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2011-11-16 EP claimed
WO-2011131686-A1 A THERMALLY CONTROLLED ASSEMBLY NAPATECH A/S (DK) 2011-10-27 WO claimed
EP-1891018-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals, Inc. (US) 2008-02-27 EP claimed
US-20070105833-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 US claimed
WO-2006127588-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-30 WO claimed
US-8822451-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-02 US disclosed
US-8822451-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-02 US disclosed
US-20070105833-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 US disclosed
US-20070105833-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 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 (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-20070105833-A1 Modulators of ATP-binding cassette transporters ABCC4, CFTR, ABCC2 KDM4E 3910/4885ADORA3 138/4885ALDH1A1 2670/4885

“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.