SCHEMBL5018434

SCHEMBL5018434

NCCN(CCN)C(=O)C[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Nc1cccc(Cl)c1Oc1cccnc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 3/20 0.37
PSMB5 P28074 5/20 0.37
S1PR1 P21453 1/20 0.36
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.34
RORC P51449 1/20 0.34
KLKB1 P03952 1/20 0.34
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL5018432 0.89 POLB (0.38) GPR132S1PR1MEN1KMT2ACTSL
SCHEMBL5018409 0.85 S1PR1 (0.51) GPR132S1PR1ALDH1A1LMNAHTT
SCHEMBL5018537 0.80 S1PR1 (0.43) GPR132S1PR1
SCHEMBL5018375 0.79 P2RX7 (0.40) PSMB5
SCHEMBL5018175 0.78 LNPEP (0.40)
SCHEMBL5018315 0.77 XIAP (0.49) PSMB5S1PR1
SCHEMBL5018330 0.76 SLC1A5 (0.45) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL5018358 0.76 CHRM1 (0.39) ALDH1A1MEN1KMT2ALMNA
SCHEMBL5018183 0.76 LNPEP (0.39) ALDH1A1MEN1KMT2A
SCHEMBL5018560 0.76 NPC1 (0.36) MEN1KMT2ALMNAPOLB

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 GPR132 3639/4885PSMB5 865/4885S1PR1 3764/4885

“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.