SCHEMBL5116514

SCHEMBL5116514

NC(=O)CCCCn1cc(Cl)c(=O)[nH]c1=O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.54
GRIA2 P42262 1/20 0.54
GRIA4 P48058 1/20 0.54
GRIK5 Q16478 1/20 0.54
CYP2C9 P11712 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 3/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL5117415 0.82 GRIA1 (0.54) GRIA1GRIA2GRIA4GRIK5CYP2C9
SCHEMBL19103048 0.82 LMNA (0.58) GRIA1GRIA2GRIA4GRIK5CYP2C9
SCHEMBL5115626 0.81 DTYMK (0.63)
SCHEMBL2353226 0.81 GRIA1 (0.48) GRIA1GRIA2GRIA4GRIK5CYP2C9
SCHEMBL30423828 0.72 GRIA1 (0.60) GRIA1GRIA2GRIA4GRIK5KMT2A
SCHEMBL13724897 0.72 TYMP (0.54) CYP2C9KMT2AMAPT
SCHEMBL19104595 0.72 LMNA (0.65) GRIA1GRIA2GRIA4GRIK5CYP2C9
SCHEMBL5123271 0.70 DTYMK (0.64) GRIA1GRIA2GRIA4GRIK5CYP2C9
SCHEMBL9121055 0.70 CYP2C9 (0.57) CYP2C9KMT2AMAPTCYP1A2CYP2C19
SCHEMBL5119096 0.70 DTYMK (0.78)

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-20080096907-A1 Aryl, Pyrimidyl Compounds, Pharmaceutical Compositions Comprising them, Their Use as Antimicrobial Agents INSTITUT PASTEUR (FR) 2008-04-24 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-20080096907-A1 Aryl, Pyrimidyl Compounds, Pharmaceutical Compositions Comprising them, Their Use as Antimicrobial Agents TPMT, DHFR, TYMP GRIA1 3530/4885GRIA2 3920/4885GRIA4 4162/4885

“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.