SCHEMBL1493416

SCHEMBL1493416

O=C(O)CSc1nnnn1-c1cc(Cl)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.58
ALDH1A1 P00352 8/20 0.57
LMNA P02545 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HTT P42858 2/20 0.53
MAPK1 P28482 2/20 0.53
MAPT P10636 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
ALOX12 P18054 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
ALOX5 P09917 1/20 0.44
CNKSR1 Q969H4 1/20 0.43

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
SCHEMBL1493435 0.84 ALDH1A1 (0.79) POLBALDH1A1LMNAL3MBTL1HTT
SCHEMBL1612584 0.81 L3MBTL1 (0.79) POLBALDH1A1LMNAL3MBTL1HTT
SCHEMBL9610068 0.77 POLB (0.52) POLBALDH1A1LMNAL3MBTL1HTT
SCHEMBL9610101 0.76 POLB (0.51) POLBALDH1A1LMNAL3MBTL1HTT
SCHEMBL4735846 0.76 HTT (0.50) ALDH1A1HTTMAPK1MAPTKMT2A
SCHEMBL6276438 0.76 PKM (0.52) POLBALDH1A1LMNAL3MBTL1HTT
SCHEMBL1493311 0.74 ALDH1A1 (0.76) POLBALDH1A1LMNAHTTMAPK1
SCHEMBL1611721 0.74 LMNA (0.76) POLBALDH1A1LMNAHTTMAPK1
SCHEMBL1493487 0.74 ALDH1A1 (0.79) POLBALDH1A1LMNAL3MBTL1HTT
SCHEMBL1493472 0.74 POLB (0.68) POLBALDH1A1LMNAMAPK1MAPT

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 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
WO-2005115147-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2005-12-08 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 POLB 4782/4885ALDH1A1 3233/4885LMNA 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.