SCHEMBL6403692

SCHEMBL6403692

Nn1c(=O)[nH]c2cc(F)ccc2c1=O

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 2/20 0.66
ALDH1A1 P00352 3/20 0.59
MPO P05164 2/20 0.54
DAO P14920 3/20 0.47
CA12 O43570 5/20 0.46
CA9 Q16790 4/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
XDH P47989 1/20 0.45
KDM4E B2RXH2 3/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
GLA P06280 1/20 0.41
PARP1 P09874 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4506198 0.81 ALDH1A1 (0.61) FEN1ALDH1A1CA12CA9CA1
SCHEMBL6406738 0.79 CA9 (0.66) ALDH1A1CA12CA9CA1CA2
SCHEMBL29960129 0.79 FEN1 (1.00) FEN1DAOCA12CA9
SCHEMBL709045 0.79 FEN1 (0.66) FEN1DAOCA12CA9CA1
SCHEMBL18670385 0.79 FEN1 (1.00) FEN1DAOCA12CA9
SCHEMBL6401448 0.79 MPO (0.70) FEN1ALDH1A1MPODAOCA12
SCHEMBL31393148 0.76 FEN1 (0.60) FEN1ALDH1A1DAOCA12CA9
SCHEMBL18837512 0.76 FEN1 (0.60) FEN1ALDH1A1DAOCA12CA9
SCHEMBL9743323 0.74 LMNA (0.60) FEN1ALDH1A1CA12CA9CA1
SCHEMBL3754362 0.74 ALDH1A1 (1.00) FEN1ALDH1A1CA12CA9KDM4E

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 FEN1 4681/4885ALDH1A1 408/4885MPO 2232/4885

“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.