SCHEMBL469391

SCHEMBL469391

CCCCOCCCOc1c(OC)ccc(C=O)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 6/20 0.38
TUBB1 Q9H4B7 1/20 0.38
ERN1 O75460 1/20 0.38
CNR2 P34972 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
GAA P10253 1/20 0.36
PRKDC P78527 1/20 0.36
PTPN1 P18031 2/20 0.35
FDPS P14324 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL8089491 0.91 SMPD1 (0.41) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT
SCHEMBL455237 0.83 HTR1A (0.43) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT
SCHEMBL455647 0.82 LMNA (0.46) SMN1; SMN2L3MBTL1MAPTHPGDLMNA
SCHEMBL13073973 0.77 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT
SCHEMBL469392 0.77 NPC1 (0.36) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT
SCHEMBL148284 0.76 PRKDC (0.48) MAPTALDH1A1TUBB1ERN1TDP1
SCHEMBL13752652 0.75 ERN1 (0.53) SMN1; SMN2L3MBTL1MAPTHPGDMAPK1
SCHEMBL5723153 0.75 KDM4E (0.43) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT
SCHEMBL636533 0.75 NPC1 (0.62) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT
SCHEMBL6798339 0.74 CNR2 (0.44) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355719-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2017-12-14 US disclosed
EP-3251678-A1 BENZOXABOROLE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS Anacor Pharmaceuticals, Inc. (US) 2017-12-06 EP disclosed
US-9751898-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-09-05 US disclosed
EP-2613788-B1 BENZOXABOROLE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS ANACOR PHARMACEUTICALS INC (US) 2017-06-21 EP disclosed
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
WO-2012033858-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-03-15 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 (3 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-20120115813-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX NPC1 1069/4885RAB9A 459/4885SMN1; SMN2 4062/4885
US-20170355719-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX NPC1 1069/4885RAB9A 459/4885SMN1; SMN2 4062/4885
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX NPC1 1069/4885RAB9A 459/4885SMN1; SMN2 4062/4885

“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.