SCHEMBL5018432

SCHEMBL5018432

NCCN(CCN)C(=O)C[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Nc1ccccc1Oc1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
GPR132 Q9UNW8 2/20 0.38
S1PR1 P21453 1/20 0.38
KMT2A Q03164 2/20 0.37
SLC1A5 Q15758 1/20 0.37
TSHR P16473 1/20 0.36
NAMPT P43490 1/20 0.36
ADRA2C P18825 1/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MMP12 P39900 1/20 0.35
HDAC4 P56524 1/20 0.35
MEF2D Q14814 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
SCHEMBL5018434 0.89 GPR132 (0.37) POLBGPR132S1PR1KMT2ACTSL
SCHEMBL5018409 0.88 S1PR1 (0.51) GPR132S1PR1NAMPTGAA
SCHEMBL5018537 0.86 S1PR1 (0.43) GPR132S1PR1MMP12HDAC4MEF2D
SCHEMBL5018330 0.86 SLC1A5 (0.45) POLBKMT2ASLC1A5MEN1
SCHEMBL5018362 0.85 TDP1 (0.42) POLBKMT2AADRA2CMEN1GAA
SCHEMBL5018298 0.83 KMT2A (0.49) POLBKMT2ATSHRMEN1GAA
SCHEMBL5018560 0.82 NPC1 (0.36) POLBKMT2AMEN1
SCHEMBL5018382 0.82 UBE2M (0.37) POLBKMT2AMEN1GAA
SCHEMBL5018358 0.81 CHRM1 (0.39) KMT2ASLC1A5MEN1
SCHEMBL5018335 0.79 PSMB5 (0.40) POLBSLC1A5

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 POLB 212/4885GPR132 3639/4885S1PR1 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.