SCHEMBL13111180

SCHEMBL13111180

CB1OCc2ccc(NS(=O)(=O)c3ccncc3)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.39
HTT P42858 4/20 0.39
GAA P10253 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
IMPDH2 P12268 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL10172234 0.87 HTR6 (0.50) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL13111172 0.86 KEAP1 (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1HTT
SCHEMBL13111501 0.85 CA1 (0.52)
SCHEMBL13111162 0.83 ALDH1A1 (0.59) ALDH1A1LMNAKMT2AMEN1GAA
SCHEMBL13111155 0.82 CA12 (0.49) ALDH1A1LMNAKMT2AMEN1HTT
SCHEMBL13111167 0.82 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2L3MBTL1THRB
SCHEMBL13111161 0.82 HTR6 (0.45) ALDH1A1LMNASMN1; SMN2L3MBTL1THRB
SCHEMBL13111154 0.82 DRD2 (0.45) ALDH1A1LMNASMN1; SMN2L3MBTL1THRB
SCHEMBL13111620 0.81 CA1 (0.41) ALDH1A1LMNASMN1; SMN2HTTGAA
SCHEMBL13108182 0.80 CYP17A1 (0.41) L3MBTL1CYP3A4CYP2D6CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256092-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-10-07 US 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-20100256092-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD ALDH1A1 4190/4885LMNA 3490/4885SMN1; SMN2 4069/4885

“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.