SCHEMBL1733458

SCHEMBL1733458

CCN(CC)c1nc(C(N)=O)cc(-c2cc(F)ccc2OC)n1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
SLC9A1 P19634 3/20 0.39
ADORA3 P0DMS8 3/20 0.39
ADORA1 P30542 2/20 0.39
SCN9A Q15858 2/20 0.39
CDK9 P50750 1/20 0.38
GRM2 Q14416 2/20 0.37
LRRK2 Q5S007 1/20 0.37
CTSA P10619 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NAMPT P43490 3/20 0.36

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
SCHEMBL1734502 0.88 KDM4E (0.57) KDM4EADORA3L3MBTL1
SCHEMBL1734511 0.87 KDM4E (0.66) KDM4EADORA3ADORA1CDK9
SCHEMBL1733524 0.87 KDM4E (0.56) KDM4ESLC9A1L3MBTL1
SCHEMBL1734433 0.86 KDM4E (0.60) KDM4ESCN9AGRM2
SCHEMBL1733539 0.85 KDM4E (0.54) KDM4EADORA3ADORA1CTSAL3MBTL1
SCHEMBL1733601 0.84 KDM4E (0.60) KDM4ESCN9AGRM2
SCHEMBL1733602 0.81 KDM4E (0.67) KDM4EADORA3GRM2L3MBTL1
SCHEMBL1734279 0.81 KDM4E (0.64) KDM4EADORA3ADORA1SCN9AL3MBTL1
SCHEMBL1733534 0.81 KDM4E (0.57) KDM4EADORA3GRM2L3MBTL1
SCHEMBL1733468 0.81 KDM4E (0.57) KDM4EADORA3ADORA1

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 3910/4885SLC9A1 154/4885ADORA3 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.