SCHEMBL5019159

SCHEMBL5019159

CN(CCCCC(=O)O)CCNC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
KDM4C Q9H3R0 10/20 0.42
KDM5A P29375 8/20 0.42
KDM5C P41229 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
PHF8 Q9UPP1 2/20 0.41
KDM4A O75164 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40

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
SCHEMBL18429539 0.91 MEN1 (0.49) MEN1GAAKMT2ATDP1MAOA
SCHEMBL27272397 0.90 TDP1 (0.55) MEN1GAAKMT2ATDP1KDM4C
SCHEMBL24621048 0.88 TDP1 (0.57) MEN1GAAKMT2ATDP1KDM4C
SCHEMBL13102991 0.87 TDP1 (0.49) MEN1GAAKMT2ATDP1KDM5A
SCHEMBL5019130 0.87 MEN1 (0.49) MEN1GAAKMT2ATDP1KDM4C
SCHEMBL13055395 0.86 TDP1 (0.55) MEN1GAAKMT2ATDP1MAOA
SCHEMBL1677981 0.85 TDP1 (0.49) MEN1GAAKMT2ATDP1KDM4C
SCHEMBL3098926 0.84 TDP1 (0.51) MEN1GAAKMT2ATDP1KDM4C
SCHEMBL25537941 0.84 TDP1 (0.69) MEN1GAAKMT2ATDP1MAOA
SCHEMBL904074 0.82 TDP1 (0.66) MEN1GAAKMT2ATDP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 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-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 MEN1 4473/4885GAA 67/4885KMT2A 3928/4885

“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.