SCHEMBL1493524

SCHEMBL1493524

COc1ccc(Cn2nccc2NC(=O)CSc2nnnn2-c2cccc(C)c2C)cc1C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.49
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPK1 P28482 1/20 0.47
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL1493599 0.95 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL1493512 0.93 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL1609930 0.91 GAA (0.52) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL1612775 0.90 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL1611820 0.90 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL1612086 0.89 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL1613038 0.88 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL1493418 0.88 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL1612014 0.88 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL1493323 0.88 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ALMNA

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 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

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 3233/4885MAPT 1288/4885MEN1 683/4885

“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.