SCHEMBL5018325

SCHEMBL5018325

NCCN(CCN)C(=O)C[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1c(Cl)cccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 13/20 0.42
MASP2 O00187 1/20 0.40
NFKB1 P19838 5/20 0.40
NFKB2 Q00653 5/20 0.40
RELA Q04206 5/20 0.40
MMP1 P03956 1/20 0.40
FCER2 P06734 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
NPY1R P25929 2/20 0.38
PSMB8 P28062 1/20 0.38
TSHR P16473 1/20 0.38
NPY2R P49146 1/20 0.38
NPY5R Q15761 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
SCHEMBL5018523 0.92 PSMB5 (0.44) PSMB5NFKB1NFKB2RELAPSMB8
SCHEMBL5018313 0.88 TRPV1 (0.47) PSMB5MASP2NFKB1NFKB2RELA
SCHEMBL5018152 0.88 MASP2 (0.46) PSMB5MASP2NFKB1NFKB2RELA
SCHEMBL5018314 0.87 OPRK1 (0.43) PSMB5NFKB1NFKB2RELAMMP1
SCHEMBL5018309 0.86 HDAC8 (0.48) PSMB5MASP2NFKB1NFKB2RELA
SCHEMBL5018319 0.86 F2 (0.44) PSMB5MASP2NFKB1NFKB2RELA
SCHEMBL5018306 0.86 NPY1R (0.47) PSMB5MASP2NFKB1NFKB2RELA
SCHEMBL5018539 0.86 PSMB5 (0.41) PSMB5MASP2NFKB1NFKB2RELA
SCHEMBL5018191 0.85 ALDH1A1 (0.47) PSMB5MASP2NFKB1NFKB2RELA
SCHEMBL13365449 0.84 MMP1 (0.43) PSMB5MASP2NFKB1NFKB2RELA

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 5 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-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
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 PSMB5 865/4885MASP2 950/4885NFKB1 881/4885

“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.