SCHEMBL1493409

SCHEMBL1493409

Cc1cccc(C)c1-n1nnnc1S

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.56
TSHR P16473 4/20 0.56
NPSR1 Q6W5P4 3/20 0.56
ALOX15 P16050 2/20 0.45
LMNA P02545 4/20 0.43
HTT P42858 3/20 0.43
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
MAPT P10636 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
KCNN4 O15554 1/20 0.36
GAA P10253 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
SCHEMBL1493493 0.88 ALDH1A1 (0.47) ALDH1A1TSHRNPSR1ALOX15LMNA
SCHEMBL1493452 0.81 NPSR1 (0.39) ALDH1A1TSHRNPSR1LMNAHTT
SCHEMBL1493484 0.80 ALDH1A1 (0.48) ALDH1A1TSHRNPSR1ALOX15LMNA
SCHEMBL22113414 0.80 ALDH1A1 (0.59) ALDH1A1TSHRNPSR1ALOX15LMNA
SCHEMBL11638648 0.79 ALDH1A1 (0.62) ALDH1A1TSHRNPSR1ALOX15LMNA
SCHEMBL1493541 0.77 ALDH1A1 (0.37) ALDH1A1TSHRALOX15LMNAHTT
SCHEMBL1493429 0.77 KCNN4 (0.37) ALDH1A1TSHRNPSR1MAPTKCNN4
SCHEMBL1610810 0.77 KCNN4 (0.40) ALDH1A1TSHRNPSR1ALOX15LMNA
SCHEMBL1493415 0.77 TSHR (0.52) ALDH1A1TSHRNPSR1ALOX15LMNA
SCHEMBL24038507 0.74 ALDH1A1 (0.71) ALDH1A1TSHRNPSR1ALOX15LMNA

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
CN-102056920-A Tetrazole compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2011-05-11 CN disclosed
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 3233/4885TSHR 44/4885NPSR1 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.