SCHEMBL5018360

SCHEMBL5018360

NCCN(CCN)C(=O)C[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Nc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.42
HPN P05981 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CALCRL Q16602 1/20 0.40
MMP3 P08254 3/20 0.39
LTA4H P09960 3/20 0.39
ERAP2 Q6P179 2/20 0.38
LNPEP Q9UIQ6 2/20 0.38
ERAP1 Q9NZ08 1/20 0.38
MMP2 P08253 2/20 0.38
NPY5R Q15761 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL5018308 0.92 CALCRL (0.41) PLGMEN1KMT2AALDH1A1RAB9A
SCHEMBL5018149 0.89 PLAU (0.48) PLAUHPNALDH1A1NPSR1CALCRL
SCHEMBL5018186 0.89 CALCRL (0.45) PLAUHPNMEN1KMT2ARAB9A
SCHEMBL5023834 0.88 MMP1 (0.43) NPY5RMMP1
SCHEMBL5018187 0.88 NPC1 (0.47) PLAUHPNSMN1; SMN2ALDH1A1RAB9A
SCHEMBL5019102 0.88 RAB9A (0.46) PLAUHPNMEN1KMT2ASMN1; SMN2
SCHEMBL5019099 0.88 SPHK1 (0.47) MMP3MMP2
SCHEMBL5018324 0.87 LNPEP (0.39) ALDH1A1ERAP2LNPEPERAP1MMP2
SCHEMBL5018393 0.87 MMP3 (0.41) PLAUHPNMEN1KMT2ACALCRL
SCHEMBL5018190 0.87 CTSC (0.41) PLAUHPNCALCRLMMP3LTA4H

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 PLG 1655/4885PLAU 1748/4885HPN 201/4885

“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.