SCHEMBL6104091

SCHEMBL6104091

O=C(O)/C=C/c1cc(Br)ccc1N1CCCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PAX8 Q06710 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
PTPN1 P18031 1/20 0.40
EIF2AK2 P19525 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
MAPT P10636 4/20 0.39

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
SCHEMBL6103607 1.00 GAA (0.41) GAAKDM4EPOLBTDP1L3MBTL1
SCHEMBL6105716 1.00 GAA (0.41) GAAKDM4EPOLBTDP1L3MBTL1
SCHEMBL6104095 1.00 GAA (0.41) GAAKDM4EPOLBTDP1L3MBTL1
SCHEMBL6103613 1.00 GAA (0.41) GAAKDM4EPOLBTDP1L3MBTL1
SCHEMBL6105724 1.00 GAA (0.41) GAAKDM4EPOLBTDP1L3MBTL1
SCHEMBL6103247 0.99 SMN1; SMN2 (0.41) GAAKDM4EPOLBTDP1L3MBTL1
SCHEMBL6103241 0.99 SMN1; SMN2 (0.41) GAAKDM4EPOLBTDP1L3MBTL1
SCHEMBL29953850 0.89 LMNA (0.41) GAAKDM4EPOLBTDP1L3MBTL1
SCHEMBL29957310 0.89 LMNA (0.41) GAAKDM4EPOLBTDP1L3MBTL1
SCHEMBL29952402 0.87 LMNA (0.41) GAAKDM4EPOLBTDP1L3MBTL1

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-20060160864-A1 Acrylamide derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-20 US disclosed
EP-1593673-A1 ACRYLAMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-11-09 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-20060160864-A1 Acrylamide derivative, process for producing the same, and use CCR5, MSR1, CCR2 GAA 4841/4885KDM4E 3852/4885POLB 3303/4885

“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.