SCHEMBL20028554

SCHEMBL20028554

Cn1cc(C2=CC(O)CN(OC(=O)c3ccccc3)C2)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.39
SCD O00767 1/20 0.35
SCD5 Q86SK9 1/20 0.35
CREBBP Q92793 4/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
KMT2A Q03164 2/20 0.33
CHRNA7 P36544 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA5 P30532 1/20 0.33
CHRNA4 P43681 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL20028553 0.81 BRD4 (0.38) BRD4SCDSCD5CREBBPSCN1A
SCHEMBL20028849 0.75 BRD4 (0.33) BRD4KMT2ATSHR
SCHEMBL20028324 0.70 SMO (0.37) BRD4KMT2ATSHR
SCHEMBL25796422 0.65 F2 (0.47) KMT2ACHRNA7CHRNB2CHRNA5CHRNA4
SCHEMBL11061761 0.64 TSHR (0.47) KMT2ACHRNA7CHRNB2CHRNA5CHRNA4
SCHEMBL2946391 0.62 SETD7 (0.50) BRD4TSHR
SCHEMBL9919107 0.61 BRD4 (0.59) BRD4CREBBP
SCHEMBL26545466 0.61 F2 (0.45) KMT2ACHRNA7CHRNB2CHRNA5CHRNA4
SCHEMBL17066447 0.61 KMT2A (0.55) SCN1ASCN2ASCN3AKMT2ACHRNA7
SCHEMBL25845894 0.61 F2 (0.45) KMT2ACHRNA7CHRNB2CHRNA5CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10183943-B2 Heterocyclic compounds and their use in preventing or treating bacterial infections MUTABILIS (FR) 2019-01-22 US disclosed
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 (2 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-10183943-B2 Heterocyclic compounds and their use in preventing or treating bacterial infections NQO1, PEPD, LCT BRD4 575/4885SCD 1166/4885SCD5 1528/4885
US-20180093985-A1 Heterocyclic Compounds and Their Use in Preventing or Treating Bacterial Infections NQO1, PEPD, LCT BRD4 575/4885SCD 1166/4885SCD5 1528/4885

“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.