SCHEMBL500013

SCHEMBL500013

COC(OC)c1cc(Cl)ccc1Br

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AOC3 Q16853 1/20 0.33
MAPT P10636 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MAPK1 P28482 2/20 0.32
AMY1A P0DUB6 2/20 0.31
NPC1 O15118 1/20 0.31
ALOX15 P16050 1/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 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
SCHEMBL31152111 1.00 HTT (0.34) HTTTP53LMNAMEN1KMT2A
SCHEMBL24182362 0.84 LMNA (0.38) HTTTP53LMNAMEN1KMT2A
SCHEMBL30623453 0.84 LMNA (0.38) HTTTP53LMNAMEN1KMT2A
SCHEMBL6710010 0.79 MEN1 (0.35) HTTTP53LMNAMEN1KMT2A
SCHEMBL31035479 0.79 ALDH1A1 (0.37) ALDH1A1L3MBTL1TDP1MAPK1ALOX15
SCHEMBL500783 0.78 ACHE (0.35) LMNAALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL500205 0.78 IDO1 (0.32) GAAIDO1TDO2
SCHEMBL31498780 0.77 GABRA1 (0.46) HTTTP53LMNAMEN1KMT2A
SCHEMBL14268018 0.77 GABRA1 (0.46) HTTTP53LMNAMEN1KMT2A
SCHEMBL2527710 0.76 MAOB (0.36) HTTLMNAALDH1A1ALOX15

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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240358728-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC (US) 2024-10-31 US disclosed
EP-4440697-A1 SPIROCYCLIC INHIBITORS OF APOL1 AND METHODS OF USING SAME Vertex Pharmaceuticals Incorporated (US) 2024-10-09 EP disclosed
WO-2023101981-A1 SPIROCYCLIC INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-06-08 WO disclosed
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2023-01-12 US disclosed
US-20210070780-A1 Boron-Containing Small Molecules ANACOR PHARMACEUTICALS, INC. (US) 2021-03-11 US disclosed
US-20210000847-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2021-01-07 US disclosed
US-20200179418-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2020-06-11 US disclosed
US-20200046745-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2020-02-13 US disclosed
US-20190330245-A1 Boron-Containing Small Molecules ANACOR PHARMACEUTICALS, INC. (US) 2019-10-31 US disclosed
US-20190282594-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2019-09-19 US disclosed
US-20100190748-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-07-29 US disclosed
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. (US) 2009-11-26 US disclosed
US-7582621-B2 Topically treating ungal and periungal infections of the nails, hoofs and claws of mammals by treating with 1-hydroxy-5-fluoro-1,3-dihydro-2,1-benzoxyborole; effectively penetrates the nail; onychomycosis; tinea unguium; fungicides; viricides; bactericides; parasiticides; yeast; microbiocides ANACOR PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
EP-2015757-A2 HYDROLYTICALLY-RESISTANT BORON-CONTAINING THERAPEUTICS AND METHODS OF USE Anacor Pharmaceuticals, Inc. (US) 2009-01-21 EP disclosed
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2007-12-20 US disclosed
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease ANACOR PHARMACEUTICALS INC. (US) 2007-12-13 US disclosed
WO-2007131072-A2 HYDROLYTICALLY-RESISTANT BORON-CONTAINING THERAPEUTICS AND METHODS OF USE ANACOR PHARMACEUTICALS, INC. (US) 2007-11-15 WO disclosed
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use ANACOR PHARMACEUTICALS (US) 2007-11-15 US disclosed
US-20070155699-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2007-07-05 US disclosed
US-20060234981-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2006-10-19 US 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 (15 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-20060234981-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 HTT 1052/4885TP53 2629/4885LMNA 3138/4885
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease BPGM, HMBS, PPIP5K2 HTT 3735/4885TP53 2935/4885LMNA 1971/4885
US-20190330245-A1 Boron-Containing Small Molecules ETF1, POLR1C, DPM1 HTT 1052/4885TP53 2629/4885LMNA 3138/4885
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA HTT 4485/4885TP53 2630/4885LMNA 3417/4885
US-20200046745-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA HTT 4485/4885TP53 2630/4885LMNA 3417/4885
US-20200179418-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA HTT 4485/4885TP53 2630/4885LMNA 3417/4885
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 HTT 4399/4885TP53 2634/4885LMNA 3610/4885
US-20240358728-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA HTT 4485/4885TP53 2630/4885LMNA 3417/4885
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, TNF HTT 4297/4885TP53 2842/4885LMNA 3286/4885
US-20070155699-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 HTT 1052/4885TP53 2629/4885LMNA 3138/4885
US-20210070780-A1 Boron-Containing Small Molecules ETF1, POLR1C, DPM1 HTT 1052/4885TP53 2629/4885LMNA 3138/4885
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use GAA, BTD, MANBA HTT 1677/4885TP53 877/4885LMNA 1041/4885
US-20190282594-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA HTT 4485/4885TP53 2630/4885LMNA 3417/4885
US-20210000847-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA HTT 4485/4885TP53 2630/4885LMNA 3417/4885
US-20100190748-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 HTT 1052/4885TP53 2629/4885LMNA 3138/4885

“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.