SCHEMBL1734416

SCHEMBL1734416

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.69
KMO O15229 5/20 0.49
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHEK2 O96017 3/20 0.40
MAP3K14 Q99558 1/20 0.39
ABL1 P00519 1/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
SLC6A3 Q01959 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL1733735 0.87 KDM4E (0.76) KDM4EKMOMEN1KMT2ATSHR
SCHEMBL1733472 0.85 KDM4E (0.73) KDM4EMEN1KMT2ATSHRMAPK1
SCHEMBL1733687 0.84 KDM4E (0.75) KDM4EKMOABL1
SCHEMBL1734327 0.84 KDM4E (0.70) KDM4EKMOMEN1KMT2ACHEK2
SCHEMBL1735810 0.83 KDM4E (0.78) KDM4EMEN1KMT2ACHEK2TSHR
SCHEMBL1733668 0.83 KDM4E (0.70) KDM4EKMOMEN1KMT2ATSHR
SCHEMBL1734448 0.82 KDM4E (0.76) KDM4EMEN1KMT2ACHEK2TSHR
SCHEMBL1734337 0.82 KDM4E (0.76) KDM4EALDH1A1HPGD
SCHEMBL1733607 0.82 KDM4E (1.00) KDM4EMEN1KMT2ATSHRMAPK1
SCHEMBL1733602 0.81 KDM4E (0.67) KDM4EMEN1KMT2ATSHRMAPK1

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-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

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 3910/4885KMO 3927/4885MEN1 4853/4885

“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.