SCHEMBL1734231

SCHEMBL1734231

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

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.71
SCN9A Q15858 15/20 0.50
CASP1 P29466 1/20 0.43
OPRD1 P41143 1/20 0.43
KCNH2 Q12809 1/20 0.43
P2RY14 Q15391 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
FPR2 P25090 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
SCHEMBL1733738 0.87 KDM4E (0.70) KDM4ESCN9AKCNH2
SCHEMBL1734337 0.86 KDM4E (0.76) KDM4ESCN9AFPR2
SCHEMBL3720121 0.86 SCN9A (0.55) KDM4ESCN9ACASP1ADORA3KMT2A
SCHEMBL1734324 0.85 KDM4E (0.67) KDM4ESCN9ACASP1ADORA3FPR2
SCHEMBL1735810 0.85 KDM4E (0.78) KDM4ESCN9ACASP1ADORA3MEN1
SCHEMBL1734448 0.84 KDM4E (0.76) KDM4ESCN9ACASP1MEN1KMT2A
SCHEMBL1733735 0.84 KDM4E (0.76) KDM4ESCN9ACASP1ADORA3MEN1
SCHEMBL1733607 0.83 KDM4E (1.00) KDM4ESCN9ACASP1ADORA3MEN1
SCHEMBL3724770 0.82 SCN9A (0.50) KDM4ESCN9ACASP1ADORA3
SCHEMBL1734177 0.81 KDM4E (0.73) KDM4ECASP1ADORA3MEN1KMT2A

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 3910/4885SCN9A 963/4885CASP1 3647/4885

“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.