SCHEMBL1493512

SCHEMBL1493512

COc1ccc(Cn2nccc2NC(=O)CSc2nnnn2-c2cccc(C)c2C)cc1F

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK1 P28482 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL1493524 0.93 ALDH1A1 (0.51) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL1493599 0.93 ALDH1A1 (0.55) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL1493602 0.89 ALDH1A1 (0.55) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL1609930 0.89 GAA (0.52) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL1612775 0.88 ALDH1A1 (0.51) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL1611638 0.88 ALDH1A1 (0.47) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL1611820 0.88 ALDH1A1 (0.53) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL1611938 0.88 ALDH1A1 (0.48) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL1493343 0.87 ALDH1A1 (0.54) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL1612014 0.86 ALDH1A1 (0.52) ALDH1A1LMNAMAPTMEN1KMT2A

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 3233/4885LMNA 4145/4885MAPT 1288/4885

“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.