SCHEMBL20022779

SCHEMBL20022779

C=CCON(C)C1C=C(c2ncco2)CN(CC(=O)c2ccccc2)C1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.32
LTA4H P09960 1/20 0.31
FAAH O00519 1/20 0.31
GRIN2B Q13224 3/20 0.30
GRIN1 Q05586 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL20022787 0.81 BRD4 (0.32) GRIN2B
SCHEMBL20022785 0.81 CHRNB2 (0.34) SMOLTA4HGRIN2BGRIN1MEN1
SCHEMBL20022782 0.80 ALDH1A1 (0.37) SMOLTA4HFAAHGRIN2BGRIN1
SCHEMBL20022792 0.78 RAB9A (0.36) MEN1KMT2A
SCHEMBL20022803 0.78 BRD4 (0.31) GRIN2B
SCHEMBL20022781 0.71 SMN1; SMN2 (0.42) SMOFAAHKMT2A
SCHEMBL20028531 0.67 LTA4H (0.34) SMOLTA4HMEN1KMT2A
SCHEMBL18209875 0.63 LTA4H (0.32) LTA4H
SCHEMBL20028324 0.62 SMO (0.37) SMOLTA4HFAAHKMT2A
SCHEMBL20022786 0.62 GRIN2B (0.33) GRIN2BGRIN1

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-20180093985-A1 Heterocyclic Compounds and Their Use in Preventing or Treating Bacterial Infections MUTABILIS (FR) 2018-04-05 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-20180093985-A1 Heterocyclic Compounds and Their Use in Preventing or Treating Bacterial Infections NQO1, PEPD, LCT SMO 3294/4885LTA4H 58/4885FAAH 965/4885

“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.