SCHEMBL6401448

SCHEMBL6401448

Nn1c(=O)[nH]c2cc(F)c(F)cc2c1=O

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPO P05164 5/20 0.70
XDH P47989 2/20 0.70
ALDH1A1 P00352 3/20 0.53
DAO P14920 1/20 0.44
GAA P10253 3/20 0.42
FEN1 P39748 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE7A Q13946 1/20 0.39
PDE7B Q9NP56 1/20 0.39
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
PARG Q86W56 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL6403692 0.79 FEN1 (0.66) MPOXDHALDH1A1DAOFEN1
SCHEMBL6668697 0.74 CA9 (0.59) MPOXDHALDH1A1DAOFEN1
SCHEMBL4506198 0.73 ALDH1A1 (0.61) ALDH1A1GAAFEN1KDM4EGLA
SCHEMBL6400493 0.73 CA12 (0.68) MPOXDHALDH1A1GAAFEN1
SCHEMBL328468 0.73 KDM4E (0.49) MPOXDHALDH1A1DAOGAA
SCHEMBL6401713 0.71 ALDH1A1 (0.59) MPOALDH1A1GAAFEN1KDM4E
SCHEMBL6401721 0.71 CA9 (0.66) MPOALDH1A1DAOGAAKDM4E
SCHEMBL10085593 0.71 ALDH1A1 (0.72) MPOALDH1A1DAOGAAKDM4E
SCHEMBL6406738 0.71 CA9 (0.66) ALDH1A1KDM4EMEN1KMT2ACA12
SCHEMBL7653637 0.69 MPO (0.43) MPOXDHALDH1A1DAOFEN1

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 MPO 2232/4885XDH 1508/4885ALDH1A1 408/4885

“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.