SCHEMBL5018522

SCHEMBL5018522

NCCN(CCN)C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc2ncccc2c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XIAP P98170 5/20 0.42
STAT6 P42226 1/20 0.40
STAT5A P42229 1/20 0.40
STAT5B P51692 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
F2 P00734 1/20 0.38
TACR1 P25103 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL5018703 1.00 XIAP (0.42) XIAPSTAT6STAT5ASTAT5BOPRM1
SCHEMBL5024482 0.90 CYP3A4 (0.38) XIAPSTAT6STAT5ASTAT5BMCHR1
SCHEMBL5018579 0.87 HDAC1 (0.41) OPRM1OPRD1OPRK1F2TACR1
SCHEMBL5018457 0.82 HDAC1 (0.39) MCHR1
SCHEMBL5018484 0.82 HDAC1 (0.39) MCHR1
SCHEMBL5018572 0.80 HDAC1 (0.43) MCHR1
SCHEMBL5018180 0.79 HDAC1 (0.42) MCHR1
SCHEMBL5018144 0.76 BDKRB2 (0.43) MCHR1
SCHEMBL5018488 0.76 BDKRB2 (0.43) MCHR1
SCHEMBL5018157 0.76 BDKRB2 (0.43) MCHR1

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 4 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

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 XIAP 1156/4885STAT6 4708/4885STAT5A 4459/4885

“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.