SCHEMBL18544899

SCHEMBL18544899

NN1C(=O)C2CCCCC2C1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HTT P42858 1/20 0.39
PPOX P50336 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.31
APEX1 P27695 1/20 0.31

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
SCHEMBL6222332 0.77 ALDH1A1 (0.43) ALDH1A1HTTPPOXTP53GAA
SCHEMBL13239527 0.72 ALDH1A1 (0.41) ALDH1A1HTTPPOXCA1CA2
SCHEMBL12332676 0.72 ALDH1A1 (0.41) ALDH1A1HTTPPOXGAAHPGD
SCHEMBL44008 0.72 POLB (0.41) ALDH1A1HTTTP53GAAHPGD
SCHEMBL18072219 0.72 POLB (0.41) ALDH1A1HTTTP53GAAHPGD
SCHEMBL6731258 0.72 ALDH1A1 (0.41) ALDH1A1HTTPPOXTP53GAA
SCHEMBL13206576 0.72 ALDH1A1 (0.41) ALDH1A1HTTPPOXCA1CA2
SCHEMBL761658 0.72 ALDH1A1 (0.41) ALDH1A1HTTPPOXCA1CA2
SCHEMBL10715568 0.72 ALDH1A1 (0.45) ALDH1A1HTTPPOXTP53GAA
SCHEMBL486926 0.72 POLB (0.41) ALDH1A1HTTTP53GAAHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050963-A1 MICROBICIDALLY ACTIVE IMIDAZOPYRIDINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-02-23 US 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-20170050963-A1 MICROBICIDALLY ACTIVE IMIDAZOPYRIDINE DERIVATIVES IDO1, IDO2, FOXM1 ALDH1A1 928/4885HTT 3810/4885PPOX 178/4885

“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.