SCHEMBL5018330

SCHEMBL5018330

COc1cccc(Oc2ccccc2NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](N)CC(=O)N(CCN)CCN)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC1A5 Q15758 2/20 0.45
MTNR1B P49286 1/20 0.44
LNPEP Q9UIQ6 4/20 0.39
ERAP2 Q6P179 2/20 0.39
PYGM P11217 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ERAP1 Q9NZ08 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
RAB9A P51151 1/20 0.38
OPRK1 P41145 1/20 0.38
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL5018362 0.87 TDP1 (0.42) LNPEPERAP2KMT2AMEN1POLB
SCHEMBL5018150 0.87 NPSR1 (0.50) LNPEPERAP2ALDH1A1KMT2AMEN1
SCHEMBL5018560 0.87 NPC1 (0.36) LNPEPERAP2KMT2AMEN1ERAP1
SCHEMBL5018432 0.86 POLB (0.38) SLC1A5KMT2AMEN1POLB
SCHEMBL5018298 0.85 KMT2A (0.49) ALDH1A1KMT2AMEN1POLBLMNA
SCHEMBL5018373 0.83 MAPT (0.46) SLC1A5LNPEPERAP2ALDH1A1KMT2A
SCHEMBL5018358 0.82 CHRM1 (0.39) SLC1A5LNPEPERAP2ALDH1A1KMT2A
SCHEMBL5018382 0.82 UBE2M (0.37) LNPEPERAP2KMT2AMEN1ERAP1
SCHEMBL5025846 0.81 FURIN (0.40) KMT2AMEN1RAB9ALMNA
SCHEMBL5018356 0.81 HDAC4 (0.47) KMT2AMEN1RAB9ALMNA

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 SLC1A5 260/4885MTNR1B 4578/4885LNPEP 541/4885

“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.