SCHEMBL1493398

SCHEMBL1493398

COc1ccc(Cn2nccc2NC(=O)CSc2nnnn2-c2ccccc2OC(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 9/20 0.53
MAPT P10636 1/20 0.53
LMNA P02545 3/20 0.51
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
ALOX15 P16050 1/20 0.49
NTRK1 P04629 2/20 0.48
NTRK2 Q16620 2/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL1493476 0.92 MEN1 (0.63) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL1611152 0.88 ALDH1A1 (0.63) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL1612188 0.88 ALDH1A1 (0.57) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL1493475 0.87 ALDH1A1 (0.56) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL1493492 0.86 MAPT (0.48) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL1610931 0.86 ALDH1A1 (0.55) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL1611820 0.86 ALDH1A1 (0.53) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL1610964 0.86 ALDH1A1 (0.61) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL1611680 0.85 ALDH1A1 (0.58) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL1613002 0.85 ALDH1A1 (0.56) MEN1KMT2AALDH1A1MAPTLMNA

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 MEN1 683/4885KMT2A 1510/4885ALDH1A1 3233/4885

“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.