SCHEMBL5018993

SCHEMBL5018993

CC(C)(C)OC(=O)NCc1ccc(OC(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
NAMPT P43490 2/20 0.47
LMNA P02545 4/20 0.47
MAPT P10636 4/20 0.47
HTT P42858 3/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
ALOX12 P18054 1/20 0.47
KMT2A Q03164 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 3/20 0.47
HDAC1 Q13547 1/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CYP2C19 P33261 1/20 0.45
CA1 P00915 1/20 0.44

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
SCHEMBL21523879 0.87 NPC1 (0.64) L3MBTL1NPC1RAB9ANAMPTLMNA
SCHEMBL10233000 0.85 NPC1 (0.49) L3MBTL1NPC1RAB9ANAMPTMAPT
SCHEMBL3180689 0.84 L3MBTL1 (0.61) L3MBTL1NAMPTMAPTGAANPSR1
SCHEMBL24455110 0.82 L3MBTL1 (0.51) L3MBTL1NAMPTMAPTGAAATM
SCHEMBL3616739 0.82 NPC1 (0.52) L3MBTL1NPC1RAB9ANAMPTMAPT
SCHEMBL10165019 0.82 L3MBTL1 (0.44) L3MBTL1NAMPTALDH1A1GAAHDAC1
SCHEMBL7652554 0.82 NPC1 (0.58) L3MBTL1NPC1RAB9ANAMPTLMNA
SCHEMBL11957489 0.82 L3MBTL1 (0.53) L3MBTL1NPC1RAB9ANAMPTMAPT
SCHEMBL1444314 0.80 HPGD (0.59) L3MBTL1NAMPTLMNAHTTGAA
SCHEMBL29602052 0.80 ACACB (0.53) L3MBTL1NPC1RAB9ALMNAMAPT

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 1868/4885NPC1 124/4885RAB9A 495/4885

“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.