SCHEMBL4243433

SCHEMBL4243433

NNC(=O)CCCNC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
KDM5C P41229 1/20 0.50
PHF8 Q9UPP1 1/20 0.50
KDM2A Q9Y2K7 1/20 0.50
CTSD P07339 1/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
PRMT1 Q99873 1/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC3 O15379 1/20 0.34

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
SCHEMBL20470027 0.91 ALDH1A1 (0.50) KDM4EKDM5CPHF8KDM2ACTSD
SCHEMBL1934843 0.86 KDM4E (0.54) KDM4EKDM5CPHF8KDM2ACTSD
SCHEMBL1246629 0.83 KDM4E (0.52) KDM4EKDM5CPHF8KDM2ACTSD
SCHEMBL3420168 0.79 HDAC1 (0.56) KDM4EKDM5CPHF8KDM2AHDAC3
SCHEMBL4525713 0.78 CTSD (0.41) KDM4EKDM5CPHF8KDM2ACTSD
SCHEMBL28219205 0.77 ALDH1A1 (0.62) KDM4EKDM5CPHF8KDM2ACTSD
SCHEMBL218953 0.77 KDM4E (0.60) KDM4EKDM5CPHF8KDM2ACTSD
SCHEMBL49856 0.77 ALDH1A1 (0.62) KDM4EKDM5CPHF8KDM2ACTSD
SCHEMBL3169675 0.76 ALDH1A1 (0.47) KDM4EKDM5CPHF8KDM2ACTSD
SCHEMBL320940 0.75 PRMT1 (0.58) TSHRPRMT1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2831075-A1 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE BETA-LACTAMASE INHIBITORS Cubist Pharmaceuticals, Inc. (US) 2015-02-04 EP disclosed
CN-104334558-A 1,3, 4-oxadiazole and 1,3, 4-thiadiazole beta-lactamase inhibitors CUBIST PHARM INC 2015-02-04 CN disclosed
WO-2013149121-A1 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE BETA-LACTAMASE INHIBITORS CUBIST PHARMACEUTICALS, INC. (US) 2013-10-03 WO disclosed
US-20090215743-A1 Tricyclic benzazepine derivatives and their use BAYER HEALTHCARE AG (DE) 2009-08-27 US disclosed
CN-1926143-A Tricyclic benzazepine * derivatives as squalene synthase inhibitors for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2007-03-07 CN disclosed
EP-1706413-A1 TRICYCLIC BENZAZEPINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS USED FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2006-10-04 EP disclosed
WO-2005068472-A1 TRICYCLIC BENZAZEPINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS USED FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2005-07-28 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-20090215743-A1 Tricyclic benzazepine derivatives and their use CACNA1I, HDAC3, AADAC KDM4E 1712/4885KDM5C 1653/4885PHF8 1581/4885

“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.