SCHEMBL5453573

SCHEMBL5453573

Nc1ccc(OCCOC2CCCCO2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4C Q9H3R0 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CHEK1 O14757 1/20 0.37
NFE2L2 Q16236 1/20 0.36
DHFR P00374 1/20 0.35
PARP10 Q53GL7 2/20 0.35
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PARP15 Q460N3 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33

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
SCHEMBL578407 0.85 MEN1 (0.49) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL16659429 0.85 MEN1 (0.49) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL18363053 0.82 MEN1 (0.49) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL2367702 0.81 MEN1 (0.59) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL16654166 0.80 MEN1 (0.47) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL5460947 0.80 MEN1 (0.47) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL17624780 0.80 MEN1 (0.55) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL10127747 0.80 MEN1 (0.43) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL29639157 0.80 KDM4C (0.50) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL17769914 0.79 KDM4C (0.49) MEN1KMT2AKDM4CL3MBTL1NPC1

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 MEN1 1828/4885KMT2A 1350/4885KDM4C 2666/4885

“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.