SCHEMBL6404444

SCHEMBL6404444

NN1C(=O)NC(c2ccc(F)cc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
GSK3B P49841 2/20 0.39
BACE1 P56817 2/20 0.39
KDM1A O60341 2/20 0.38
LMNA P02545 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
FADS1 O60427 1/20 0.36
ATM Q13315 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AR P10275 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GFER P55789 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAP1LC3B Q9GZQ8 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL6400557 0.81 ALDH1A1 (0.41) LMNAADORA3KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6401313 0.81 LMNA (0.56) LMNAADORA3KMT2AARALDH1A1
SCHEMBL6399678 0.81 LMNA (0.56) LMNAADORA3KMT2AARALDH1A1
SCHEMBL6105903 0.81 LMNA (0.56) LMNAADORA3KMT2AARALDH1A1
SCHEMBL6404736 0.77 KDM4E (0.48) TDP1KDM1ALMNAKMT2ASMN1; SMN2
SCHEMBL6401149 0.77 KDM4E (0.48) TDP1KDM1ALMNAKMT2ASMN1; SMN2
SCHEMBL6404442 0.76 TDP1 (0.44) TDP1GSK3BBACE1KDM1ALMNA
SCHEMBL6403766 0.71 GAA (0.44) KDM1AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL8270572 0.65 TDP1 (1.00) TDP1GSK3BBACE1LMNAKMT2A
SCHEMBL1421341 0.65 TDP1 (1.00) TDP1GSK3BBACE1LMNAKMT2A

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-20050054696-A1 Indole compounds and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-10 US claimed
EP-1452526-A1 INDOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP claimed
US-20050054696-A1 Indole compounds and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-10 US disclosed
EP-1452526-A1 INDOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 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-20050054696-A1 Indole compounds and medicinal use thereof IDO1, GPR119, SLC5A1 TDP1 2024/4885GSK3B 1128/4885BACE1 1630/4885

“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.