SCHEMBL4629223

SCHEMBL4629223

CN(C)CCCNC(=N)NC(=O)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
KCNH2 Q12809 1/20 0.48
PLK1 P53350 1/20 0.48
RAD52 P43351 1/20 0.47
MMP3 P08254 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
PPARG P37231 1/20 0.46
HPGD P15428 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 1/20 0.45
POLR1A O95602 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL4629270 0.80 SCN5A (0.61) HTTPPARGHPGDKDM4EALDH1A1
SCHEMBL4371080 0.80 RAD52 (0.67) HTTKCNH2PLK1RAD52MMP3
SCHEMBL4628722 0.78 SCN5A (0.55) PLK1MMP3HDAC8HPGDKDM4E
SCHEMBL5427460 0.78 MMP3 (0.67) PLK1MMP3HDAC8HPGDKDM4E
SCHEMBL4629465 0.76 HDAC8 (0.57) PLK1MMP3HDAC8HPGDKDM4E
SCHEMBL4629230 0.76 SCN5A (0.68) PLK1RAD52MMP3HDAC8MEN1
SCHEMBL9331839 0.75 HTT (0.59) HTTKCNH2RAD52HPGDKDM4E
SCHEMBL6331260 0.74 PLK1 (0.57) PLK1MMP3HDAC8HPGDKDM4E
SCHEMBL4629442 0.74 LMNA (0.54) PLK1MMP3HDAC8HPGDKDM4E
SCHEMBL3643350 0.74 HPGD (0.62) HTTPLK1MMP3HDAC8PPARG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US claimed
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA HTT 20/4885KCNH2 1361/4885PLK1 3759/4885

“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.