SCHEMBL1493310

SCHEMBL1493310

COc1ccc(Cn2nccc2NC(=O)CCc2nnnn2-c2cccc3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 1/20 0.42
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
THRB P10828 2/20 0.41
LMNA P02545 1/20 0.41
HSD11B1 P28845 1/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
ENPP2 Q13822 1/20 0.40
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39

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
SCHEMBL1493414 0.88 HSD11B1 (0.45) ALDH1A1NPBWR1MCHR1SMN1; SMN2HTT
SCHEMBL1611314 0.88 ALDH1A1 (0.44) ALDH1A1HSD17B10NPBWR1MCHR1SMN1; SMN2
SCHEMBL1493574 0.85 TP53 (0.41) ALDH1A1SMN1; SMN2HTTTHRBLMNA
SCHEMBL1612000 0.85 HTT (0.45) ALDH1A1SMN1; SMN2HTTTHRBLMNA
SCHEMBL1611680 0.85 ALDH1A1 (0.58) ALDH1A1HSD17B10SMN1; SMN2HTTLMNA
SCHEMBL1612083 0.84 THRB (0.42) ALDH1A1SMN1; SMN2HTTTHRBLMNA
SCHEMBL1493380 0.83 MAPT (0.45) ALDH1A1NPBWR1MCHR1HTTTHRB
SCHEMBL1493469 0.81 MAPT (0.44) ALDH1A1SMN1; SMN2HTTTHRBMAPT
SCHEMBL1612419 0.76 HSD11B1 (0.43) ALDH1A1HSD17B10HSD11B1TP53
SCHEMBL1612005 0.76 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2HTTHSD11B1MAPT

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 6 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
EP-2288603-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2011-03-02 EP claimed
WO-2009150614-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-17 WO 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 ALDH1A1 3233/4885HSD17B10 3334/4885NPBWR1 97/4885

“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.