SCHEMBL1493492

SCHEMBL1493492

Cc1cccc(-n2nnnc2SCC(=O)Nc2ccnn2Cc2ccc(OC(F)(F)F)cc2)c1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
GLA P06280 1/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 9/20 0.45
LMNA P02545 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL1611820 0.91 ALDH1A1 (0.53) MAPTMAPK1ALDH1A1LMNANPSR1
SCHEMBL1493575 0.90 ALDH1A1 (0.46) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL1493563 0.90 TP53 (0.53) MAPTMAPK1ALDH1A1LMNANPSR1
SCHEMBL1611670 0.89 ALDH1A1 (0.48) MAPTMAPK1ALDH1A1LMNANPSR1
SCHEMBL1611938 0.89 ALDH1A1 (0.48) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL1612063 0.89 ALDH1A1 (0.49) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL1612883 0.89 ALDH1A1 (0.45) MAPTMAPK1ALDH1A1LMNANPSR1
SCHEMBL1611435 0.88 NPSR1 (0.49) MAPTGLAMAPK1ALDH1A1LMNA
SCHEMBL1493526 0.88 ALDH1A1 (0.49) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL1610585 0.88 ALDH1A1 (0.52) MAPTMAPK1ALDH1A1LMNANPSR1

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 MAPT 1288/4885GLA 3515/4885MAPK1 3086/4885

“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.