SCHEMBL1493574

SCHEMBL1493574

COc1ccc(Cn2nccc2NC(=O)CCc2nnnn2-c2c(C)cccc2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 3/20 0.41
THRB P10828 2/20 0.41
HSD11B1 P28845 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
PKM P14618 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
SCHEMBL1493469 0.92 MAPT (0.44) TP53HTTSMN1; SMN2MAPTTHRB
SCHEMBL1612000 0.91 HTT (0.45) TP53HTTSMN1; SMN2MAPTTHRB
SCHEMBL1493414 0.91 HSD11B1 (0.45) TP53HTTSMN1; SMN2MAPTTHRB
SCHEMBL1612083 0.91 THRB (0.42) TP53HTTSMN1; SMN2MAPTTHRB
SCHEMBL1611441 0.88 HDAC1 (0.40) HTTHSD11B1ALDH1A1LMNA
SCHEMBL1610263 0.87 HSD11B1 (0.42) HTTSMN1; SMN2MAPTHSD11B1ALDH1A1
SCHEMBL1493380 0.86 MAPT (0.45) TP53HTTMAPTTHRBHSD11B1
SCHEMBL1493310 0.85 ALDH1A1 (0.42) TP53HTTSMN1; SMN2MAPTTHRB
SCHEMBL1493372 0.84 ALDH1A1 (0.55) HTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL1493454 0.80 ALDH1A1 (0.53) HTTSMN1; SMN2ALDH1A1LMNA

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 TP53 4867/4885HTT 616/4885SMN1; SMN2 4215/4885

“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.