SCHEMBL1734561

SCHEMBL1734561

CCN(CC)c1nc(C(N)=O)cc(-c2cccc(Cl)c2Cl)n1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
NUDT1 P36639 3/20 0.41
SCN9A Q15858 2/20 0.40
GRM2 Q14416 1/20 0.40
RXFP1 Q9HBX9 1/20 0.38
PIM1 P11309 2/20 0.38
PIM3 Q86V86 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
PTPN11 Q06124 7/20 0.37
PANK3 Q9H999 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL1733665 0.82 KDM4E (0.64) KDM4ENUDT1GRM2PIM1PIM3
SCHEMBL1734237 0.82 KDM4E (0.60) KDM4EGRM2TDP1
SCHEMBL1734243 0.82 KDM4E (0.60) KDM4EGRM2RXFP1
SCHEMBL1733748 0.81 KDM4E (0.70) KDM4EGRM2
SCHEMBL1733617 0.81 KDM4E (0.69) KDM4ESCN9AGRM2
SCHEMBL1733687 0.80 KDM4E (0.75) KDM4ESCN9A
SCHEMBL1734511 0.79 KDM4E (0.66) KDM4E
SCHEMBL1734416 0.78 KDM4E (0.69) KDM4ETDP1
SCHEMBL1734477 0.78 KDM4E (0.65) KDM4ERXFP1
SCHEMBL1733735 0.78 KDM4E (0.76) KDM4ESCN9AGRM2TDP1

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 3910/4885NUDT1 113/4885SCN9A 963/4885

“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.