SCHEMBL2280860

SCHEMBL2280860

Brc1cc(OCc2ccccc2)ccc1COC1CCCCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.43
CYP2D6 P10635 2/20 0.43
KDM4C Q9H3R0 1/20 0.42
MAOB P27338 7/20 0.42
MAOA P21397 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CCR5 P51681 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
GRM5 P41594 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALOX5 P09917 1/20 0.39
NAAA Q02083 1/20 0.39

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
SCHEMBL4680154 0.80 ICAM1 (0.39) KDM4CMEN1KMT2ANPC1RAB9A
SCHEMBL1979487 0.79 CCR5 (0.45) KDM4CMEN1KMT2ACCR5HPGD
SCHEMBL2006340 0.79 TACR1 (0.45) KDM4CMEN1KMT2ANPC1RAB9A
SCHEMBL4184332 0.78 KDM4C (0.47) KDM4CMEN1KMT2A
SCHEMBL25221323 0.78 KMT2A (0.57) HRH3CYP2D6KDM4CMAOBMAOA
SCHEMBL12375129 0.77 KDM4C (0.36) KDM4CMEN1KMT2ANPC1RAB9A
SCHEMBL11258174 0.77 KDM4C (0.46) KDM4CMEN1KMT2AALDH1A1NPSR1
SCHEMBL5940726 0.77 CCR5 (0.49) KDM4CMEN1KMT2ACCR5RAB9A
SCHEMBL2284090 0.77 L3MBTL1 (0.47) KDM4CMEN1KMT2ANPC1RAB9A
SCHEMBL10687441 0.77 KDM4C (0.55) HRH3CYP2D6KDM4CMAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970339-B1 1-HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS LILLY CO ELI (US) 2017-08-16 EP disclosed
US-9617285-B2 1-hydroxy-benzooxaboroles as antiparasitic agents ELI LILLY AND COMPANY (US) 2017-04-11 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-9493489-B2 Boron-containing small molecules as anti-protozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2016-11-15 US disclosed
US-9346834-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2016-05-24 US disclosed
US-9346834-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2016-05-24 US disclosed
US-9346834-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2016-05-24 US disclosed
EP-2970339-A1 1 -HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS Eli Lilly and Company (US) 2016-01-20 EP disclosed
US-20150353581-A1 1-HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS ELI LILLY AND COMPANY (US) 2015-12-10 US disclosed
US-20120295875-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2012-11-22 US disclosed
US-20120295875-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2012-11-22 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-2011049971-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-04-28 WO disclosed
WO-2010045503-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2010-04-22 WO 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
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 (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-20150353581-A1 1-HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS HAO1, CYP8B1, KMO HRH3 230/4885CYP2D6 933/4885KDM4C 203/4885
US-20120295875-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP HRH3 964/4885CYP2D6 3449/4885KDM4C 3993/4885
US-20110207702-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS BRDT, BRI3BP, BTN3A1 HRH3 1012/4885CYP2D6 4290/4885KDM4C 3516/4885

“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.