SCHEMBL12374899

SCHEMBL12374899

COCOCc1ccc(Sc2ccccc2)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RECQL P46063 1/20 0.39
RHEB Q15382 1/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
MAOA P21397 3/20 0.33
MAOB P27338 3/20 0.33
HTR2C P28335 1/20 0.33
HTR6 P50406 1/20 0.33
SLC6A4 P31645 1/20 0.33
NR1I2 O75469 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CYP1A2 P05177 1/20 0.31
MAPK14 Q16539 1/20 0.31
BCL2 P10415 1/20 0.31
MCL1 Q07820 1/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL2276506 0.87 TDP1 (0.39) TDP1MEN1KMT2ARECQLLMNA
SCHEMBL2281228 0.87 POLB (0.42) TDP1MEN1KMT2ARHEBLMNA
SCHEMBL2283310 0.83 RHEB (0.34) RHEBSLC6A4
SCHEMBL597187 0.75 NAAA (0.49) MEN1KMT2ARHEBALDH1A1SMN1; SMN2
SCHEMBL500785 0.74 IDO1 (0.53) MEN1KMT2AMAPTALDH1A1IDO1
SCHEMBL15335397 0.73 PTPN1 (0.31) TDP1MAPTALDH1A1
SCHEMBL500057 0.72 IDO1 (0.37) MAOBIDO1
SCHEMBL9810896 0.70 TDP1 (0.32) TDP1MEN1KMT2ARECQLMAPT
SCHEMBL30879482 0.69 LTA4H (0.42) MEN1KMT2AHTR2CSLC6A4ALDH1A1
SCHEMBL31145078 0.69 IDO1 (0.40) KMT2ASLC6A4ALDH1A1HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 TDP1 3458/4885MEN1 198/4885KMT2A 2171/4885

“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.