SCHEMBL1733735

SCHEMBL1733735

CCN(CC)c1nc(C(N)=O)cc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.76
GRM2 Q14416 1/20 0.43
ADORA3 P0DMS8 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CASP1 P29466 2/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CTRC Q99895 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MAP4K4 O95819 3/20 0.40
KMO O15229 1/20 0.40

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
SCHEMBL1735810 0.88 KDM4E (0.78) KDM4EGRM2ADORA3MEN1KMT2A
SCHEMBL1733668 0.88 KDM4E (0.70) KDM4EGRM2MEN1KMT2ACASP1
SCHEMBL1734416 0.87 KDM4E (0.69) KDM4EMEN1KMT2ACASP1ALDH1A1
SCHEMBL1733472 0.87 KDM4E (0.73) KDM4EMEN1KMT2ACASP1ALDH1A1
SCHEMBL1734448 0.87 KDM4E (0.76) KDM4EMEN1KMT2ACASP1ALDH1A1
SCHEMBL1734337 0.87 KDM4E (0.76) KDM4EGRM2ALDH1A1HPGDSCN9A
SCHEMBL1733607 0.86 KDM4E (1.00) KDM4EADORA3MEN1KMT2ACASP1
SCHEMBL1733687 0.86 KDM4E (0.75) KDM4EKMOSCN9ACNR1
SCHEMBL1734177 0.85 KDM4E (0.73) KDM4EGRM2ADORA3MEN1KMT2A
SCHEMBL1734269 0.84 KDM4E (0.71) KDM4EADORA3CASP1ALDH1A1TSHR

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-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
US-20070105833-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 US 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 3910/4885GRM2 3521/4885ADORA3 138/4885

“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.