SCHEMBL1493380

SCHEMBL1493380

COc1ccc(Cn2nccc2NC(=O)CCc2nnnn2-c2cc(C)ccc2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
TP53 P04637 4/20 0.42
HTT P42858 2/20 0.42
BTK Q06187 1/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
HSD11B1 P28845 1/20 0.41
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39
THRB P10828 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 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
SCHEMBL1611042 0.89 ALDH1A1 (0.39) MAPTTP53HSD11B1ALDH1A1KMT2A
SCHEMBL1493469 0.88 MAPT (0.44) MAPTTP53HTTBTKALDH1A1
SCHEMBL1493414 0.87 HSD11B1 (0.45) MAPTTP53HTTNPBWR1MCHR1
SCHEMBL1493574 0.86 TP53 (0.41) MAPTTP53HTTHSD11B1ALDH1A1
SCHEMBL1612460 0.85 ALDH1A1 (0.58) TP53HTTALDH1A1KMT2AMEN1
SCHEMBL1493310 0.83 ALDH1A1 (0.42) MAPTTP53HTTNPBWR1MCHR1
SCHEMBL1612000 0.82 HTT (0.45) MAPTTP53HTTALDH1A1POLB
SCHEMBL1612083 0.82 THRB (0.42) MAPTTP53HTTALDH1A1POLB
SCHEMBL1612339 0.80 ALDH1A1 (0.43) TP53HTTBTKNPBWR1MCHR1
SCHEMBL1613173 0.80 ALDH1A1 (0.43) TP53HTTBTKNPBWR1MCHR1

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 4 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 claimed
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 MAPT 1288/4885TP53 4867/4885HTT 616/4885

“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.