SCHEMBL20022803

SCHEMBL20022803

C=CCON(C)C1C=C(c2ccc(=O)n(C)c2)CN(CC(=O)c2ccccc2)C1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.31
GRIN2B Q13224 2/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
CASP3 P42574 1/20 0.30
CDK9 P50750 1/20 0.30
CASP7 P55210 1/20 0.30
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
SCHEMBL20022798 0.82 GRIN2B (0.33) BRD4GRIN2BSLC6A4SLC6A3MKNK1
SCHEMBL20022787 0.81 BRD4 (0.32) BRD4GRIN2B
SCHEMBL20022802 0.81 MKNK1 (0.38) BRD4GRIN2BSLC6A4SLC6A3MKNK1
SCHEMBL20022779 0.78 SMO (0.32) GRIN2B
SCHEMBL20022792 0.77 RAB9A (0.36) CASP3
SCHEMBL20022797 0.73 ALDH1A1 (0.39) BRD4GRIN2BSLC6A4SLC6A3MKNK1
SCHEMBL28461119 0.72
SCHEMBL20028911 0.68 BRD4 (0.32) BRD4
SCHEMBL20022794 0.66 HPGD (0.35)
SCHEMBL20028554 0.63 BRD4 (0.39) BRD4

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 BRD4 575/4885GRIN2B 4673/4885SLC6A4 4720/4885

“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.