SCHEMBL5018970

SCHEMBL5018970

CCOc1c(F)cc(CNC(=O)OC(C)(C)C)cc1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
HDAC1 Q13547 2/20 0.41
NAMPT P43490 2/20 0.40
KDM4A O75164 1/20 0.40
GRM2 Q14416 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
GAA P10253 1/20 0.38
CACNA1H O95180 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNA1C Q13936 1/20 0.37
CYP3A4 P08684 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
SCHEMBL29130074 0.83 KDM4A (0.40) L3MBTL1HDAC1NAMPTKDM4AGRM2
SCHEMBL21593060 0.82 KDM4A (0.44) L3MBTL1HDAC1NAMPTKDM4AGRM2
SCHEMBL31087477 0.82 NAMPT (0.42) L3MBTL1HDAC1NAMPTKDM4AGRM2
SCHEMBL30625720 0.82 NAMPT (0.42) L3MBTL1HDAC1NAMPTKDM4AGRM2
SCHEMBL23418026 0.81 GRM2 (0.44) L3MBTL1HDAC1NAMPTKDM4AGRM2
SCHEMBL18854481 0.81 EPAS1 (0.43) L3MBTL1HDAC1NAMPTKDM4AGRM2
SCHEMBL615759 0.80 KDM4A (0.42) L3MBTL1HDAC1NAMPTKDM4AGRM2
SCHEMBL13055397 0.80 KDM4A (0.51) L3MBTL1HDAC1NAMPTKDM4ACA1
SCHEMBL12791343 0.79 GRM2 (0.46) L3MBTL1HDAC1NAMPTKDM4AGRM2
SCHEMBL18578805 0.79 GRM2 (0.43) L3MBTL1HDAC1NAMPTKDM4AGRM2

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 3 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-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 L3MBTL1 1868/4885HDAC1 852/4885NAMPT 1419/4885

“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.