SCHEMBL1493554

SCHEMBL1493554

Cc1cccc(-n2nnnc2SCC(=O)Nc2ccnn2Cc2ccc(OCc3ccccc3)cc2)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.52
POLB P06746 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HTT P42858 2/20 0.52
USP2 O75604 1/20 0.52
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 1/20 0.46
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
TP53 P04637 1/20 0.45
LMNA P02545 3/20 0.45
MAPK1 P28482 1/20 0.45
ABCB1 P08183 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NTRK1 P04629 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
SCHEMBL1493563 0.92 TP53 (0.53) ALDH1A1POLBKDM4ETSHRMAPT
SCHEMBL1610585 0.92 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL1611670 0.92 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL1612346 0.90 TP53 (0.47) ALDH1A1MEN1KMT2AHTTUSP2
SCHEMBL1611309 0.90 TSHR (0.48) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL1611820 0.90 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL1612063 0.88 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL1612883 0.88 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL1493526 0.88 ALDH1A1 (0.49) ALDH1A1POLBMEN1KMT2ATSHR
SCHEMBL1493492 0.87 MAPT (0.48) ALDH1A1MEN1KMT2AUSP2MAPT

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 3233/4885POLB 4782/4885MEN1 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.