SCHEMBL5459880

SCHEMBL5459880

Nc1ccc(N2CCC(C(=O)c3ccccc3)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
STAT3 P40763 3/20 0.47
NR2F2 P24468 1/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ABL1 P00519 1/20 0.47
SCD O00767 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
SLC18A3 Q16572 1/20 0.45
HTR2A P28223 1/20 0.45
CPB1 P15086 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL3544514 0.85 LMNA (0.55) STAT3LMNAKDM4EABL1L3MBTL1
SCHEMBL594954 0.82 LMNA (0.67) ALDH1A1STAT3LMNAKDM4EABL1
SCHEMBL5453369 0.80 L3MBTL1 (0.70) ALDH1A1MAPTLMNAL3MBTL1SLC18A3
SCHEMBL1817229 0.80 SCD (0.55) ALDH1A1MAPTSTAT3NR2F2LMNA
Trifluoroacetic Acid SCHEMBL5322535 0.78 L3MBTL1 (0.48) ALDH1A1MAPTSTAT3NR2F2LMNA
SCHEMBL2145523 0.77 HRH3 (0.48) LMNAKDM4EABL1GRIN2DGRIN3B
SCHEMBL15651714 0.77 LMNA (0.56) STAT3LMNAKDM4EABL1L3MBTL1
SCHEMBL30801243 0.76 LMNA (0.44) LMNAKDM4EABL1GRIN2DGRIN3B
SCHEMBL2393500 0.76 DHFR (0.55) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3666064 0.76 KMT2A (0.46) ALDH1A1MAPTSTAT3LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 US disclosed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 EP 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-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 ALDH1A1 731/4885MAPT 758/4885STAT3 2208/4885

“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.