SCHEMBL20022798

SCHEMBL20022798

C=CCONC1C=C(c2ccc(=O)n(C)c2)CN(CC(=O)c2ccccc2)C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 13/20 0.33
BRD4 O60885 1/20 0.32
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRIN1 Q05586 1/20 0.31
LMNA P02545 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 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
SCHEMBL20028911 0.84 BRD4 (0.32) BRD4
SCHEMBL20022803 0.82 BRD4 (0.31) GRIN2BBRD4SLC6A4SLC6A3MKNK1
SCHEMBL20022786 0.80 GRIN2B (0.33) GRIN2BGRIN1
SCHEMBL20022802 0.79 MKNK1 (0.38) GRIN2BBRD4RAB9ASMN1; SMN2SLC6A4
SCHEMBL20022795 0.75 KMT2A (0.38) RAB9ASMN1; SMN2
SCHEMBL20022797 0.74 ALDH1A1 (0.39) GRIN2BBRD4RAB9ASMN1; SMN2SLC6A4
SCHEMBL20028851 0.64 MEN1 (0.32)
SCHEMBL18209834 0.64 BRD4 (0.32) BRD4
SCHEMBL20028554 0.64 BRD4 (0.39) BRD4
SCHEMBL28461119 0.64

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 4673/4885BRD4 575/4885RAB9A 1331/4885

“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.