SCHEMBL5018152

SCHEMBL5018152

NCCN(CCN)C(=O)C[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1cc(Cl)cc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.46
NPY1R P25929 3/20 0.44
NPY2R P49146 1/20 0.43
NPY5R Q15761 1/20 0.43
MMP1 P03956 1/20 0.41
FCER2 P06734 1/20 0.41
KLKB1 P03952 1/20 0.41
TACR1 P25103 1/20 0.41
SCN9A Q15858 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
PSMB5 P28074 6/20 0.40
PSMB8 P28062 2/20 0.40
NFKB1 P19838 4/20 0.39
NFKB2 Q00653 4/20 0.39
RELA Q04206 4/20 0.39

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
SCHEMBL5018316 0.91 MMP1 (0.43) MASP2MMP1FCER2CHRNB2CHRNB4
SCHEMBL5018313 0.89 TRPV1 (0.47) MASP2NPY1RNPY2RNPY5RMMP1
SCHEMBL5018325 0.88 PSMB5 (0.42) MASP2NPY1RNPY2RNPY5RMMP1
SCHEMBL5018306 0.87 NPY1R (0.47) MASP2NPY1RNPY5RMMP1FCER2
SCHEMBL5018319 0.87 F2 (0.44) MASP2NPY1RPSMB5NFKB1NFKB2
SCHEMBL5018309 0.87 HDAC8 (0.48) MASP2PSMB5NFKB1NFKB2RELA
SCHEMBL5018209 0.86 TACR1 (0.47) MMP1FCER2TACR1CHRNB2CHRNB4
SCHEMBL5018191 0.86 ALDH1A1 (0.47) MASP2NPY1RNPY2RNPY5RMMP1
SCHEMBL5019103 0.85 CALCRL (0.41) MASP2NPY1RMMP1FCER2KLKB1
SCHEMBL5018523 0.85 PSMB5 (0.44) PSMB5PSMB8NFKB1NFKB2RELA

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 8 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
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 US disclosed
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 US disclosed
WO-2008141010-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-11-20 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 (2 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 MASP2 950/4885NPY1R 4772/4885NPY2R 4757/4885
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 MASP2 950/4885NPY1R 4772/4885NPY2R 4757/4885

“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.