SCHEMBL1820581

SCHEMBL1820581

Nc1cc([N+](=O)[O-])ccc1SCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
CYP3A4 P08684 4/20 0.64
POLB P06746 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP2C19 P33261 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
CYP2C9 P11712 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
MAPT P10636 3/20 0.51
PDE7A Q13946 2/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.49
THRB P10828 1/20 0.49
HPGD P15428 1/20 0.48
GSTP1 P09211 1/20 0.48
GSTM2 P28161 1/20 0.48
GFER P55789 1/20 0.48
CTSB P07858 2/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL10826128 0.83 POLB (0.61) ALDH1A1CYP3A4POLBCYP1A2CYP2C19
SCHEMBL6191726 0.82 PDE7A (0.62) ALDH1A1CYP3A4POLBCYP1A2CYP2C19
SCHEMBL30876805 0.82 ALDH1A1 (0.64) ALDH1A1CYP3A4POLBCYP1A2CYP2C19
SCHEMBL29900473 0.82 PDE7A (0.62) ALDH1A1CYP3A4POLBCYP1A2CYP2C19
SCHEMBL29900461 0.82 MEN1 (0.60) ALDH1A1CYP3A4POLBCYP1A2CYP2C19
SCHEMBL23092512 0.82 ALDH1A1 (0.60) ALDH1A1CYP3A4POLBCYP1A2CYP2C19
SCHEMBL8781039 0.82 ALDH1A1 (0.64) ALDH1A1CYP3A4POLBCYP1A2CYP2C19
SCHEMBL29900515 0.82 ALDH1A1 (0.60) ALDH1A1CYP3A4POLBCYP1A2CYP2C19
SCHEMBL9934096 0.82 POLB (0.56) ALDH1A1CYP3A4POLBCYP1A2CYP2C19
SCHEMBL19332390 0.82 MEN1 (0.60) ALDH1A1CYP3A4POLBCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461134-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20110172187-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
WO-2011060196-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 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-20110172187-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD ALDH1A1 4190/4885CYP3A4 3430/4885POLB 721/4885

“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.