SCHEMBL2279052

SCHEMBL2279052

O=Cc1ccc(Sc2ccc(Cl)cc2)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
ERN1 O75460 2/20 0.40
CTRC Q99895 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TERT O14746 1/20 0.37
PRKDC P78527 1/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CHEK2 O96017 1/20 0.36
HAO1 Q9UJM8 1/20 0.36

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
SCHEMBL3253021 0.85 TERT (0.45) TDP1MAPTTP53ERN1MEN1
SCHEMBL12375092 0.85 TERT (0.43) TDP1MAPTERN1MEN1KMT2A
SCHEMBL20535344 0.80 LMNA (0.53) TDP1MAOAMAOBMAPTMEN1
SCHEMBL380731 0.79 TDP1 (0.61) TDP1MAPTERN1HSD17B10ALDH1A1
SCHEMBL21362601 0.78 PRKDC (0.41) TDP1MAPTERN1MEN1KMT2A
SCHEMBL20535669 0.78 LMNA (0.43) TDP1MAOAMAOBMAPTERN1
SCHEMBL2280933 0.78 MAPT (0.50) TDP1MAPTERN1MEN1KMT2A
SCHEMBL5776519 0.74 ALDH1A1 (0.47) MAPTERN1HSD17B10ALDH1A1PRKDC
SCHEMBL2883730 0.73 MEN1 (0.43) TDP1MAPTERN1MEN1KMT2A
SCHEMBL8633861 0.73 MAOA (0.44) MAOAMAOBMAPTCTRCMEN1

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 10 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-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-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 (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 3458/4885MAOA 4619/4885MAOB 3633/4885

“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.