SCHEMBL1493427

SCHEMBL1493427

Fc1cccc(-n2nnnc2S)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
LMNA P02545 4/20 0.46
HTT P42858 3/20 0.46
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KEAP1 Q14145 1/20 0.44
NOTUM Q6P988 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
ADORA3 P0DMS8 1/20 0.37
S1PR4 O95977 1/20 0.37
HPGD P15428 1/20 0.37
S1PR1 P21453 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL11915104 0.82 ALDH1A1 (0.44) POLBSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL5177288 0.79 ALDH1A1 (0.50) POLBSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL6151739 0.79 SMN1; SMN2 (0.60) SMN1; SMN2LMNAHTTALDH1A1L3MBTL1
SCHEMBL27610729 0.79 POLB (0.47) POLBSMN1; SMN2LMNAHTTIDO1
SCHEMBL5540345 0.79 LMNA (0.50) POLBSMN1; SMN2LMNAHTTIDO1
SCHEMBL3417466 0.79 ALDH1A1 (0.66) POLBSMN1; SMN2LMNAHTTIDO1
SCHEMBL9014506 0.79 SMN1; SMN2 (0.39) POLBSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL8048128 0.78 ALDH1A1 (0.49) POLBSMN1; SMN2LMNAHTTIDO1
Hydrochloric Acid SCHEMBL8020291 0.78 ALDH1A1 (0.49) POLBSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL55213 0.77 ALDH1A1 (0.53) POLBSMN1; SMN2LMNAHTTALDH1A1

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 5 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
CN-1154366-A Tetrazole oxyacetamides BAYER AGROCHEM KK (JP) 1997-07-16 CN 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 4782/4885SMN1; SMN2 4215/4885LMNA 4145/4885

“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.