SCHEMBL1491096

SCHEMBL1491096

COc1ccc(-n2nccc2N)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
CHRNB2 P17787 4/20 0.41
CHRNA4 P43681 4/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NNMT P40261 1/20 0.39
OGA O60502 1/20 0.39
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
SLC2A1 P11166 1/20 0.37
SLC2A3 P11169 1/20 0.37
PIK3CD O00329 2/20 0.37
PIK3CA P42336 2/20 0.37
PIP5K1C O60331 1/20 0.37
PIK3CB P42338 1/20 0.37
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 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
SCHEMBL1491081 0.76 POLB (0.58) POLBKMT2AMAPTXDH
SCHEMBL14353634 0.75 LMNA (0.63) POLBCHRNB2CHRNA4MEN1KMT2A
SCHEMBL2466078 0.75 MEN1 (0.42) POLBCHRNB2CHRNA4MEN1KMT2A
SCHEMBL24921587 0.74 CHRNB2 (0.46) CHRNB2CHRNA4MEN1KMT2ANNMT
SCHEMBL20386628 0.74 LMNA (0.43) CHRNB2CHRNA4MEN1KMT2ANNMT
SCHEMBL15484918 0.73 PIK3CD (0.42) CHRNB2CHRNA4MEN1KMT2ANNMT
SCHEMBL16160223 0.72 CYP19A1 (0.37) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL1012878 0.72 PTK2B (0.42) CHRNB2CHRNA4MEN1KMT2AOGA
SCHEMBL18604507 0.71 CHRNB2 (0.41) CHRNB2CHRNA4MEN1KMT2ANNMT
SCHEMBL1491113 0.71 ALDH1A1 (0.54) NNMT

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-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 US disclosed
EP-2288603-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2011-03-02 EP disclosed
WO-2009150614-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-17 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-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R POLB 4782/4885CHRNB2 533/4885CHRNA4 305/4885

“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.