SCHEMBL20022786

SCHEMBL20022786

C=CCONC1C=C(c2cnoc2)CN(CC(=O)c2ccccc2)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 10/20 0.33
GRIN1 Q05586 3/20 0.31
KDR P35968 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL20028851 0.84 MEN1 (0.32)
SCHEMBL20022787 0.81 BRD4 (0.32) GRIN2BKDR
SCHEMBL20022798 0.80 GRIN2B (0.33) GRIN2BGRIN1
SCHEMBL20022789 0.79 KDR (0.37) GRIN2BGRIN1KDRALDH1A1
SCHEMBL20022795 0.78 KMT2A (0.38) ALDH1A1
SCHEMBL20022788 0.73 ALDH1A1 (0.39) GRIN2BKDRALDH1A1
SCHEMBL20028911 0.64 BRD4 (0.32)
SCHEMBL20022779 0.62 SMO (0.32) GRIN2BGRIN1
SCHEMBL20022803 0.62 BRD4 (0.31) GRIN2B
SCHEMBL18209875 0.61 LTA4H (0.32)

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 GRIN2B 4673/4885GRIN1 4446/4885KDR 4864/4885

“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.