SCHEMBL5018436

SCHEMBL5018436

CCOc1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](N)CC(=O)N(CCN)CCN)cc1OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
NPSR1 Q6W5P4 3/20 0.43
CTSD P07339 1/20 0.42
KLKB1 P03952 7/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PSMB5 P28074 3/20 0.42
PSMB8 P28062 2/20 0.42
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40

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
SCHEMBL5018299 0.91 CTSD (0.48) SMN1; SMN2CTSDMEN1KMT2APSMB5
SCHEMBL5023807 0.90 SIGMAR1 (0.44) CTSDKLKB1PSMB5PSMB8CHRNB2
SCHEMBL13289081 0.90 TRPM8 (0.53) SMN1; SMN2CTSDMEN1KMT2AF2
SCHEMBL5018480 0.89 KLKB1 (0.54) KLKB1MEN1KMT2A
SCHEMBL5018177 0.85 MMP2 (0.44) SMN1; SMN2CTSDKLKB1KMT2APSMB5
SCHEMBL5018210 0.85 KLKB1 (0.49) KLKB1PSMB5PSMB8NFKB1NFKB2
SCHEMBL5018306 0.85 NPY1R (0.47) KLKB1PSMB5NFKB1NFKB2RELA
SCHEMBL5018489 0.84 CARM1 (0.41) CTSDKLKB1PSMB5PSMB8NFKB1
SCHEMBL5018313 0.84 TRPV1 (0.47) KLKB1PSMB5PSMB8NFKB1NFKB2
SCHEMBL5018555 0.84 MASP2 (0.42) 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 SMN1; SMN2 4857/4885NPSR1 3524/4885CTSD 1429/4885

“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.