SCHEMBL1733472

SCHEMBL1733472

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.73
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SCN9A Q15858 7/20 0.41
DHODH Q02127 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FPR2 P25090 1/20 0.39
CRHR1 P34998 2/20 0.38
CASR P41180 1/20 0.37
JAK2 O60674 1/20 0.37

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
SCHEMBL1733735 0.87 KDM4E (0.76) KDM4EMEN1KMT2ASCN9AALDH1A1
SCHEMBL1735810 0.86 KDM4E (0.78) KDM4EMEN1KMT2ASCN9AALDH1A1
SCHEMBL1734265 0.85 KDM4E (0.70) KDM4EMEN1KMT2ASCN9ADHODH
SCHEMBL1734416 0.85 KDM4E (0.69) KDM4EMEN1KMT2ADHODHALDH1A1
SCHEMBL1734448 0.85 KDM4E (0.76) KDM4EMEN1KMT2ASCN9AALDH1A1
SCHEMBL1734337 0.85 KDM4E (0.76) KDM4ESCN9AALDH1A1HPGDFPR2
SCHEMBL1733607 0.84 KDM4E (1.00) KDM4EMEN1KMT2ASCN9AALDH1A1
SCHEMBL1734177 0.82 KDM4E (0.73) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL1734231 0.81 KDM4E (0.71) KDM4EMEN1KMT2ASCN9ACASP1
SCHEMBL1733592 0.81 KDM4E (0.71) KDM4EMEN1KMT2ASCN9AALDH1A1

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 3910/4885MEN1 4853/4885KMT2A 4395/4885

“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.