SCHEMBL5018218

SCHEMBL5018218

NCCN(CCN)C(=O)C[C@H](N)C(=O)N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)Nc1cnc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 1/20 0.44
KDR P35968 1/20 0.42
SCN9A Q15858 1/20 0.42
ADCY6 O43306 1/20 0.41
ADCY3 O60266 1/20 0.41
ADCY9 O60503 1/20 0.41
ADCY5 O95622 1/20 0.41
ADCY8 P40145 1/20 0.41
GCGR P47871 1/20 0.41
ADCY7 P51828 1/20 0.41
ADCY2 Q08462 1/20 0.41
ADCY1 Q08828 1/20 0.41
ADCY4 Q8NFM4 1/20 0.41
TRPV1 Q8NER1 8/20 0.41
ACP1 P24666 1/20 0.40
RAB9A P51151 4/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL13991926 0.94 SCN9A (0.47) BDKRB2KDRSCN9AADCY6ADCY3
SCHEMBL5018317 0.88 LTA4H (0.44) BDKRB2SCN9AHDAC4HDAC1HDAC3
SCHEMBL5018233 0.88 BDKRB2 (0.43) BDKRB2KDRSCN9AADCY6ADCY3
SCHEMBL5018157 0.88 BDKRB2 (0.43) BDKRB2SCN9AADCY6ADCY3ADCY9
SCHEMBL5018144 0.88 BDKRB2 (0.43) BDKRB2SCN9AADCY6ADCY3ADCY9
SCHEMBL5018488 0.88 BDKRB2 (0.43) BDKRB2SCN9AADCY6ADCY3ADCY9
SCHEMBL5025439 0.86 TRPV1 (0.45) BDKRB2SCN9ATRPV1RAB9ALMNA
SCHEMBL5018124 0.86 HDAC1 (0.44) BDKRB2KDRSCN9ATRPV1ACP1
SCHEMBL5018201 0.86 HDAC1 (0.44) BDKRB2KDRSCN9ATRPV1ACP1
SCHEMBL5018102 0.86 HDAC1 (0.44) BDKRB2KDRSCN9ATRPV1ACP1

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 8 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
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 US disclosed
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 US disclosed
WO-2008141010-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-11-20 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 (2 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 BDKRB2 3317/4885KDR 4582/4885SCN9A 2910/4885
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 BDKRB2 3317/4885KDR 4582/4885SCN9A 2910/4885

“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.