SCHEMBL455237

SCHEMBL455237

COc1ccc(C=O)c(Br)c1OCCCOCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.43
ADRA1D P25100 6/20 0.43
ADRA1A P35348 6/20 0.43
ADRA1B P35368 6/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ERN1 O75460 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
BCHE P06276 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
SCHEMBL7746131 0.87 BCHE (0.48) HTR1AADRA1DADRA1AADRA1BERN1
SCHEMBL5019561 0.85 SCN8A (0.39) HTR1AADRA1DADRA1AADRA1BERN1
SCHEMBL469391 0.83 NPC1 (0.41) NPC1RAB9AERN1SMN1; SMN2L3MBTL1
SCHEMBL16096944 0.81 HTR1A (0.41) HTR1AADRA1DADRA1AADRA1BNPC1
SCHEMBL3543787 0.80 ERN1 (0.47) HTR1AADRA1DADRA1AADRA1BNPC1
SCHEMBL3446508 0.79 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2L3MBTL1TDP1
SCHEMBL462096 0.79 HTR1A (0.37) HTR1AADRA1DADRA1AADRA1BNPC1
SCHEMBL8089491 0.78 SMPD1 (0.41) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA
SCHEMBL16096574 0.76 HTR1A (0.46) HTR1AADRA1DADRA1AADRA1BNPC1
SCHEMBL3445741 0.76 ALDH1A1 (0.49) SMN1; SMN2L3MBTL1TDP1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008345-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2021-05-18 US disclosed
CN-108610356-B Benzoxaborole derivatives for the treatment of bacterial infections 阿纳科制药公司 2021-02-26 CN disclosed
US-20190345173-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2019-11-14 US disclosed
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
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
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-8703742-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-04-22 US disclosed
EP-2613788-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2013-07-17 EP 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 (5 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-11008345-B2 Boron-containing small molecules BCL6B, BTD, BROX HTR1A 4700/4885ADRA1D 4709/4885ADRA1A 4273/4885
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX HTR1A 4700/4885ADRA1D 4709/4885ADRA1A 4273/4885
US-20170355719-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX HTR1A 4700/4885ADRA1D 4709/4885ADRA1A 4273/4885
US-20190345173-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX HTR1A 4700/4885ADRA1D 4709/4885ADRA1A 4273/4885
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX HTR1A 4700/4885ADRA1D 4709/4885ADRA1A 4273/4885

“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.