SCHEMBL1611340

SCHEMBL1611340

CCc1cccc(C)c1-n1nnnc1SCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
ALDH1A1 P00352 7/20 0.58
NPSR1 Q6W5P4 2/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.54
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.46
TP53 P04637 1/20 0.46
ABCB1 P08183 1/20 0.44

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
SCHEMBL1611509 0.91 ALDH1A1 (0.69) POLBALDH1A1NPSR1TSHRMAPK1
SCHEMBL1493401 0.80 ALDH1A1 (0.64) POLBALDH1A1NPSR1TSHRMAPK1
SCHEMBL1493487 0.80 ALDH1A1 (0.79) POLBALDH1A1NPSR1MAPK1MEN1
SCHEMBL6282045 0.78 MEN1 (0.59) POLBALDH1A1NPSR1TSHRMAPK1
SCHEMBL1612844 0.75 POLB (0.73) POLBALDH1A1TSHRMEN1KMT2A
SCHEMBL1610031 0.74 POLB (1.00) POLBALDH1A1TSHRMAPK1MEN1
SCHEMBL1610173 0.74 POLB (0.76) POLBALDH1A1TSHRMEN1KMT2A
SCHEMBL7992707 0.73 POLB (0.97) POLBALDH1A1TSHRMAPK1MEN1
SCHEMBL1611721 0.72 LMNA (0.76) POLBALDH1A1NPSR1TSHRMAPK1
SCHEMBL1493311 0.72 ALDH1A1 (0.76) POLBALDH1A1NPSR1TSHRMAPK1

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-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 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-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R POLB 4782/4885ALDH1A1 3233/4885NPSR1 9/4885

“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.