SCHEMBL5024508

SCHEMBL5024508

NCC1CCN(C(=O)CC(N)C(=O)NC(CCc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 11/20 0.45
UBE2M P61081 10/20 0.45
EPHX2 P34913 2/20 0.45
GAA P10253 1/20 0.43
PSMB5 P28074 3/20 0.42
CCKBR P32239 1/20 0.41
DPP4 P27487 1/20 0.41
DPP7 Q9UHL4 1/20 0.41

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
SCHEMBL5018681 1.00 DCUN1D1 (0.45) DCUN1D1UBE2MEPHX2GAAPSMB5
SCHEMBL5019161 1.00 DCUN1D1 (0.45) DCUN1D1UBE2MEPHX2GAAPSMB5
SCHEMBL5019162 0.92 DCUN1D1 (0.46) DCUN1D1UBE2MEPHX2PSMB5CCKBR
SCHEMBL5024445 0.92 DCUN1D1 (0.46) DCUN1D1UBE2MEPHX2PSMB5CCKBR
SCHEMBL5018626 0.92 DCUN1D1 (0.46) DCUN1D1UBE2MEPHX2PSMB5CCKBR
Hydrochloric Acid SCHEMBL2749604 0.91 DCUN1D1 (0.46) DCUN1D1UBE2MEPHX2PSMB5CCKBR
SCHEMBL5018475 0.90 DCUN1D1 (0.44) DCUN1D1UBE2MEPHX2PSMB5CCKBR
SCHEMBL10271436 0.90 DCUN1D1 (0.44) DCUN1D1UBE2MEPHX2PSMB5CCKBR
SCHEMBL5018451 0.90 DCUN1D1 (0.44) DCUN1D1UBE2MEPHX2PSMB5CCKBR
Hydrochloric Acid SCHEMBL2747410 0.89 DCUN1D1 (0.43) DCUN1D1UBE2MEPHX2PSMB5CCKBR

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 DCUN1D1 3227/4885UBE2M 1812/4885EPHX2 3088/4885

“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.