SCHEMBL5540070

SCHEMBL5540070

N#Cc1cccc(C(=O)NCCCCCNC(=O)c2cccc(C#N)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.73
HDAC3 O15379 2/20 0.67
MCHR1 Q99705 1/20 0.58
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
GSK3B P49841 2/20 0.54
GPR139 Q6DWJ6 1/20 0.53
LMNA P02545 1/20 0.52
KCNA3 P22001 1/20 0.52
ALDH1A1 P00352 1/20 0.51
CCR5 P51681 1/20 0.50
NAAA Q02083 1/20 0.50
GRM5 P41594 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50

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
SCHEMBL6359399 0.90 SMN1; SMN2 (0.72) NAMPTHDAC3MCHR1GAASMN1; SMN2
SCHEMBL19133524 0.90 NAMPT (0.61) NAMPTHDAC3MCHR1GAASMN1; SMN2
SCHEMBL17623594 0.90 HDAC3 (0.63) NAMPTHDAC3MCHR1GAASMN1; SMN2
SCHEMBL14449903 0.86 NAMPT (0.58) NAMPTHDAC3MCHR1GAASMN1; SMN2
SCHEMBL12988864 0.86 L3MBTL1 (0.63) NAMPTHDAC3MCHR1GAASMN1; SMN2
SCHEMBL3900808 0.86 MCHR1 (0.60) NAMPTHDAC3MCHR1GAASMN1; SMN2
SCHEMBL7556161 0.86 NAMPT (0.58) NAMPTHDAC3MCHR1GAASMN1; SMN2
SCHEMBL3697123 0.85 NAMPT (1.00) NAMPT
SCHEMBL5628377 0.85 NAMPT (0.56) NAMPTHDAC3MCHR1GAAGSK3B
SCHEMBL21610884 0.84 NAMPT (0.56) NAMPTHDAC3MCHR1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262223-B2 Amidine derivatives for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-28 US disclosed
US-7262223-B2 Amidine derivatives for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-28 US disclosed
EP-1715857-A1 AMIDINE DERIVATIVES FOR TREATING AMYLOIDOSIS Neurochem (International) Limited (CH) 2006-11-02 EP disclosed
WO-2005079780-A1 AMIDINE DERIVATIVES FOR TREATING AMYLOIDOSIS NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-09-01 WO disclosed
US-20050182118-A1 Amidine derivatives for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-08-18 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-20050182118-A1 Amidine derivatives for treating amyloidosis APP, IAPP, GRN NAMPT 131/4885HDAC3 3707/4885MCHR1 3953/4885

“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.