SCHEMBL500012

SCHEMBL500012

COCOCCc1cc(F)ccc1Br

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.36
NR3C1 P04150 1/20 0.34
SLC6A4 P31645 7/20 0.33
HTR1A P08908 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A2 P23975 6/20 0.32
SLC6A3 Q01959 6/20 0.32
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
PKM P14618 1/20 0.31
ACHE P22303 1/20 0.31
AMY1A P0DUB6 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
SCHEMBL3814098 0.89 L3MBTL1 (0.35) HTR2ANR3C1SLC6A4HTR1AUSP2
SCHEMBL28421465 0.88 HTR2A (0.38) HTR2ANR3C1SLC6A4HTR1AUSP2
SCHEMBL500146 0.85 NR3C1 (0.34) HTR2ANR3C1SLC6A4HTR1AUSP2
SCHEMBL10053221 0.81 L3MBTL1 (0.37) HTR2ASLC6A4HTR1AUSP2SMN1; SMN2
SCHEMBL9700591 0.80 HTR1A (0.41) HTR2ASLC6A4HTR1AHTR2C
SCHEMBL7478730 0.80 NOS3 (0.38) HTR2ASLC6A4HTR1AUSP2SMN1; SMN2
SCHEMBL30910900 0.77 NR3C1 (0.37) HTR2ANR3C1SLC6A4HTR1AUSP2
SCHEMBL1723567 0.77 NR3C1 (0.37) HTR2ANR3C1SLC6A4HTR1AUSP2
SCHEMBL500370 0.75 TAAR1 (0.48) SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL500057 0.75 IDO1 (0.37) HTR2AMAPK1PKMACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2023-01-12 US disclosed
EP-3424932-B1 BORONOPHTHALIDES FOR THERAPEUTIC USE ANACOR PHARMACEUTICALS INC (US) 2021-04-07 EP disclosed
US-20210070780-A1 Boron-Containing Small Molecules ANACOR PHARMACEUTICALS, INC. (US) 2021-03-11 US disclosed
US-20200179418-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2020-06-11 US disclosed
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-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-20190160081-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2019-05-30 US disclosed
EP-2719388-B1 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS INC (US) 2019-04-10 EP disclosed
CN-101160124-A Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2008-04-09 CN disclosed
WO-2007146965-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE ANACOR PHARMACEUTICALS, INC. (US) 2007-12-21 WO 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
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use ANACOR PHARMACEUTICALS (US) 2007-11-15 US disclosed
EP-1853251-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2007-11-14 EP disclosed
WO-2007078340-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2007-07-12 WO 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
WO-2006089067-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2006-08-24 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 (12 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 HTR2A 3715/4885NR3C1 3158/4885SLC6A4 1797/4885
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease BPGM, HMBS, PPIP5K2 HTR2A 4637/4885NR3C1 1946/4885SLC6A4 4545/4885
US-20190160081-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA HTR2A 4197/4885NR3C1 337/4885SLC6A4 4479/4885
US-20190330245-A1 Boron-Containing Small Molecules ETF1, POLR1C, DPM1 HTR2A 3715/4885NR3C1 3158/4885SLC6A4 1797/4885
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA HTR2A 4197/4885NR3C1 337/4885SLC6A4 4479/4885
US-20200046745-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA HTR2A 4197/4885NR3C1 337/4885SLC6A4 4479/4885
US-20200179418-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA HTR2A 4197/4885NR3C1 337/4885SLC6A4 4479/4885
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, TNF HTR2A 4027/4885NR3C1 298/4885SLC6A4 4410/4885
US-20070155699-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 HTR2A 3715/4885NR3C1 3158/4885SLC6A4 1797/4885
US-20210070780-A1 Boron-Containing Small Molecules ETF1, POLR1C, DPM1 HTR2A 3715/4885NR3C1 3158/4885SLC6A4 1797/4885
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use GAA, BTD, MANBA HTR2A 4874/4885NR3C1 3777/4885SLC6A4 4050/4885
US-20190282594-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA HTR2A 4197/4885NR3C1 337/4885SLC6A4 4479/4885

“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.