SCHEMBL5123271

SCHEMBL5123271

O=C(O)CCCCn1cc(Br)c(=O)[nH]c1=O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.64
GRIA1 P42261 1/20 0.54
GRIA2 P42262 1/20 0.54
GRIA4 P48058 1/20 0.54
GRIK5 Q16478 1/20 0.54
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
KMT2A Q03164 1/20 0.50
SQOR Q9Y6N5 1/20 0.48
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 3/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL19873722 0.89 DTYMK (0.58) DTYMKGRIA1GRIA2GRIA4GRIK5
SCHEMBL5129605 0.80 DTYMK (0.98) DTYMKKMT2A
SCHEMBL7181578 0.80 CYP1A2 (0.60) GRIA1GRIA2GRIA4GRIK5MAPT
SCHEMBL28641604 0.79 ALDH1A1 (0.48) DTYMKGRIA1GRIA2GRIA4GRIK5
SCHEMBL2153060 0.79 GRIA1 (0.60) DTYMKGRIA1GRIA2GRIA4GRIK5
SCHEMBL5118975 0.79 DTYMK (1.00) DTYMKKMT2A
SCHEMBL14208526 0.78 DTYMK (0.91) DTYMKKMT2A
SCHEMBL8143319 0.77 TK2 (0.54) MAPTCYP2C9KMT2A
SCHEMBL12630504 0.77 LMNA (0.59) DTYMKGRIA1GRIA2GRIA4GRIK5
SCHEMBL21637700 0.74 LMNA (0.53) DTYMKGRIA1GRIA2GRIA4GRIK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096907-A1 Aryl, Pyrimidyl Compounds, Pharmaceutical Compositions Comprising them, Their Use as Antimicrobial Agents INSTITUT PASTEUR (FR) 2008-04-24 US disclosed
CN-101098860-A Aryl pyrimidinyl compounds, pharmaceutical compositions containing them and their use as antimicrobial agents PASTEUR INSTITUT (FR) 2008-01-02 CN disclosed
EP-1655288-A1 Aryl pyrimidyl compounds, pharmaceutical compositions comprising them, their use as antimicrobial agents INSTITUT PASTEUR (FR) 2006-05-10 EP 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-20080096907-A1 Aryl, Pyrimidyl Compounds, Pharmaceutical Compositions Comprising them, Their Use as Antimicrobial Agents TPMT, DHFR, TYMP DTYMK 209/4885GRIA1 3530/4885GRIA2 3920/4885

“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.