SCHEMBL2280979

SCHEMBL2280979

OCc1ccc(Sc2ccc(Cl)c(Cl)c2)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.38
RHEB Q15382 5/20 0.38
HAO1 Q9UJM8 1/20 0.37
USP7 Q93009 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DAO P14920 1/20 0.32
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
HSD17B10 Q99714 1/20 0.31
HTR1A P08908 1/20 0.31
HTR3A P46098 1/20 0.31

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
SCHEMBL28409119 0.87 GRM5 (0.36) GRM5RHEBHAO1USP7LMNA
SCHEMBL597241 0.85 MAOA (0.41) RHEBMAPT
SCHEMBL2282201 0.81 POLB (0.46) RHEBLMNA
SCHEMBL596489 0.78 KMT2A (0.37) RHEBMAPTHSD17B10
SCHEMBL595756 0.78 RHEB (0.36) RHEBHSD17B10
SCHEMBL594758 0.78 MCL1 (0.41) RHEBLMNAMAPTICAM1SELE
SCHEMBL596845 0.77 DDAH1 (0.47) RHEBICAM1SELEHSD17B10
SCHEMBL10957865 0.75 HAO1 (0.53) GRM5HAO1LMNAMAPTRECQL
SCHEMBL2283310 0.75 RHEB (0.34) GRM5RHEBHAO1USP7
SCHEMBL597052 0.74 SLC6A4 (0.38) RHEBHAO1MAPTICAM1SELE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111233908-A Benzoxaborol-1-ol compound and preparation method and application thereof 南京农业大学 2020-06-05 CN disclosed
US-9493489-B2 Boron-containing small molecules as anti-protozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2016-11-15 US disclosed
US-9493489-B2 Boron-containing small molecules as anti-protozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2016-11-15 US disclosed
US-9493489-B2 Boron-containing small molecules as anti-protozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2016-11-15 US disclosed
US-20110207702-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-08-25 US disclosed
US-20110207702-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-08-25 US disclosed
US-20110207702-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-08-25 US disclosed
WO-2010045503-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2010-04-22 WO disclosed
WO-2010045505-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC (US) 2010-04-22 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-20110207702-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS BRDT, BRI3BP, BTN3A1 GRM5 4026/4885RHEB 123/4885HAO1 3469/4885

“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.