SCHEMBL5018489

SCHEMBL5018489

NCCN(CCN)C(=O)C[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccc(OC(F)(F)F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.41
PRMT6 Q96LA8 2/20 0.41
KLKB1 P03952 2/20 0.39
P2RX7 Q99572 3/20 0.39
PSMB5 P28074 5/20 0.39
PSMB8 P28062 2/20 0.39
CTSD P07339 3/20 0.38
OPRK1 P41145 1/20 0.38
NFKB1 P19838 3/20 0.37
NFKB2 Q00653 3/20 0.37
RELA Q04206 3/20 0.37
MMP1 P03956 1/20 0.36
FCER2 P06734 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
MCHR1 Q99705 1/20 0.36
SCN9A Q15858 1/20 0.35

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
SCHEMBL5018684 0.88 KLKB1 (0.50) KLKB1PSMB5PSMB8NFKB1NFKB2
SCHEMBL5018262 0.88 KLKB1 (0.50) KLKB1PSMB5PSMB8NFKB1NFKB2
SCHEMBL5018676 0.87 PSMB5 (0.40) KLKB1P2RX7PSMB5PSMB8CTSD
SCHEMBL5019104 0.87 PSMB5 (0.40) KLKB1P2RX7PSMB5PSMB8CTSD
SCHEMBL5018479 0.85 ROCK2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5018299 0.85 CTSD (0.48) PSMB5PSMB8CTSDMMP1
SCHEMBL5018588 0.85 PSMB5 (0.44) KLKB1P2RX7PSMB5PSMB8CTSD
SCHEMBL13365582 0.85 PSMB5 (0.44) KLKB1P2RX7PSMB5PSMB8CTSD
SCHEMBL5018436 0.84 SMN1; SMN2 (0.47) KLKB1PSMB5PSMB8CTSDNFKB1
SCHEMBL5018493 0.84 KLKB1 (0.41) KLKB1PSMB5PSMB8NFKB1NFKB2

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 CARM1 4551/4885PRMT6 4419/4885KLKB1 2848/4885

“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.