SCHEMBL540944

SCHEMBL540944

CCCCCCCC(=O)NCCCCC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.59
FAAH O00519 5/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
NAAA Q02083 1/20 0.56
DNM1 Q05193 2/20 0.54
EPHX2 P34913 4/20 0.52
SLC6A5 Q9Y345 2/20 0.51
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL17751908 1.00 CASP2 (0.59) CASP2FAAHL3MBTL1NAAADNM1
SCHEMBL24894495 0.98 CASP2 (0.57) CASP2FAAHL3MBTL1NAAADNM1
SCHEMBL7099277 0.92 FAAH (0.56) CASP2FAAHL3MBTL1NAAADNM1
SCHEMBL947922 0.90 FAAH (0.53) CASP2FAAHL3MBTL1NAAADNM1
SCHEMBL12160128 0.88 TDP1 (0.61) CASP2FAAHNAAADNM1EPHX2
SCHEMBL31248065 0.88 TDP1 (0.61) CASP2FAAHNAAADNM1EPHX2
SCHEMBL30020702 0.88 TDP1 (0.61) CASP2FAAHNAAADNM1EPHX2
SCHEMBL5267898 0.88 TDP1 (0.61) CASP2FAAHNAAADNM1EPHX2
SCHEMBL20542889 0.88 TDP1 (0.61) CASP2FAAHNAAADNM1EPHX2
SCHEMBL806270 0.87 MEN1 (0.57) CASP2FAAHL3MBTL1NAAAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188282-B2 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
EP-2044033-B1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2012-02-08 EP disclosed
US-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2009-08-13 US disclosed
EP-2044033-A1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES Sanofi-Aventis (FR) 2009-04-08 EP disclosed
WO-2008009348-A1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI-AVENTIS (FR) 2008-01-24 WO disclosed
EP-1878724-A1 A regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles sanofi-aventis (FR) 2008-01-16 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-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles DDT, NIT2, PADI1 CASP2 2358/4885FAAH 2296/4885L3MBTL1 1236/4885

“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.