SCHEMBL22558026

SCHEMBL22558026

CCCCCCCC(=O)N(N)C([C]=O)CCCCN

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.41
FFAR1 O14842 1/20 0.41
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
SLC6A5 Q9Y345 2/20 0.40
SIRT6 Q8N6T7 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
DNM1 Q05193 8/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX1 P07099 1/20 0.37
CPB2 Q96IY4 1/20 0.36
PAOX Q6QHF9 1/20 0.36

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
SCHEMBL6228775 0.87 FFAR4 (0.41) FFAR4FFAR1GNAI3GNAO1GNAI1
SCHEMBL27719308 0.78 SLC6A5 (0.46) FFAR4FFAR1GNAI3GNAO1GNAI1
SCHEMBL21803789 0.77 GNAI3 (0.51) GNAI3GNAO1GNAI1SLC6A5SIRT6
SCHEMBL934384 0.73 CES2 (0.44) GNAI3GNAO1GNAI1SLC6A5DNM1
SCHEMBL27762302 0.72 GSR (0.41) FFAR4FFAR1GNAI3GNAO1GNAI1
SCHEMBL9716836 0.71 SLC6A5 (0.47) FFAR4FFAR1GNAI3GNAO1GNAI1
SCHEMBL21838291 0.71 SLC6A5 (0.47) FFAR4FFAR1GNAI3GNAO1GNAI1
SCHEMBL9716734 0.71 SLC6A5 (0.47) FFAR4FFAR1GNAI3GNAO1GNAI1
SCHEMBL1532638 0.71 SLC6A5 (0.47) FFAR4FFAR1GNAI3GNAO1GNAI1
SCHEMBL2345422 0.71 SLC6A5 (0.47) FFAR4FFAR1GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3955929-B1 NEW PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING UNIV LIEGE (BE) 2024-05-15 EP disclosed
EP-3955929-A1 NEW PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING Université de Liège (BE) 2022-02-23 EP disclosed
US-20210290625-A1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING Université de Liège (BE) 2021-09-23 US disclosed
WO-2020212553-A1 NEW PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING Université de Liège (BE) 2020-10-22 WO 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-20210290625-A1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING PIGS, TYMP, TYMS FFAR4 2717/4885FFAR1 1904/4885GNAI3 1398/4885

“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.