SCHEMBL1734477

SCHEMBL1734477

CCOc1ccccc1-c1cc(C(N)=O)nc(N(CC)CC)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.65
ADORA1 P30542 3/20 0.48
ADORA2A P29274 2/20 0.48
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 3/20 0.40
RXFP1 Q9HBX9 2/20 0.40
USP2 O75604 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PDE10A Q9Y233 2/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL1734511 0.89 KDM4E (0.66) KDM4EADORA1ADORA2AHSD17B10MAPT
SCHEMBL1733739 0.86 KDM4E (0.65) KDM4EMEN1KMT2ALMNAMAPT
SCHEMBL1733748 0.83 KDM4E (0.70) KDM4EADORA1ADORA2AMEN1KMT2A
SCHEMBL1733468 0.82 KDM4E (0.57) KDM4EADORA1ADORA2AHSD17B10MAPT
SCHEMBL1733617 0.82 KDM4E (0.69) KDM4EADORA1ADORA2ALMNAADORA3
SCHEMBL1733665 0.81 KDM4E (0.64) KDM4EADORA1ADORA2AMEN1KMT2A
SCHEMBL1733607 0.79 KDM4E (1.00) KDM4EADORA1ADORA2AMEN1KMT2A
SCHEMBL1734279 0.79 KDM4E (0.64) KDM4EADORA1ADORA2AMEN1KMT2A
SCHEMBL1734269 0.79 KDM4E (0.71) KDM4ELMNATSHRHSD17B10MAPT
SCHEMBL1734527 0.78 KDM4E (0.70) KDM4EMEN1KMT2ALMNAMAPT

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 3910/4885ADORA1 142/4885ADORA2A 161/4885

“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.