SCHEMBL5019130

SCHEMBL5019130

CC(C)(C)OC(=O)NCCN(CCCCC(=O)O)CCNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
KDM5A P29375 3/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
DRD2 P14416 3/20 0.40
PHF8 Q9UPP1 2/20 0.39
KDM4C Q9H3R0 1/20 0.39
MMP9 P14780 2/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38

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
SCHEMBL29262491 0.95 MEN1 (0.50) MEN1GAAKMT2ATDP1MAOA
SCHEMBL28974610 0.93 TDP1 (0.58) MEN1GAAKMT2ATDP1MAOA
SCHEMBL29262528 0.91 TDP1 (0.55) MEN1GAAKMT2ATDP1MAOA
SCHEMBL3617075 0.91 MEN1 (0.50) MEN1GAAKMT2ATDP1MAOA
SCHEMBL24897149 0.89 TDP1 (0.57) MEN1GAAKMT2ATDP1MAOA
SCHEMBL26049440 0.88 TDP1 (0.58) MEN1GAAKMT2ATDP1MAOA
SCHEMBL5019159 0.87 MEN1 (0.48) MEN1GAAKMT2ATDP1MAOA
SCHEMBL13399396 0.86 TDP1 (0.51) MEN1GAAKMT2ATDP1MAOA
SCHEMBL29262513 0.86 MEN1 (0.44) MEN1GAAKMT2ATDP1MAOA
SCHEMBL12482641 0.85 TDP1 (0.56) 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 3 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
WO-2010054102-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-05-14 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-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.