SCHEMBL1493482

SCHEMBL1493482

COc1ccc(OC)c(-n2nnnc2SCC(=O)O)c1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.77
ALDH1A1 P00352 10/20 0.69
HSD17B10 Q99714 3/20 0.64
MAPT P10636 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
TSHR P16473 4/20 0.62
HPGD P15428 3/20 0.62
LMNA P02545 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MAPK1 P28482 2/20 0.60
POLB P06746 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
HTT P42858 1/20 0.57

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
SCHEMBL1493471 0.91 LMNA (0.68) USP2ALDH1A1HSD17B10MAPTMEN1
SCHEMBL1493465 0.88 ALDH1A1 (0.67) USP2ALDH1A1HSD17B10MAPTMEN1
SCHEMBL1493362 0.84 MAPK1 (0.78) USP2ALDH1A1HSD17B10MAPTMEN1
SCHEMBL1493440 0.81 TSHR (0.71) USP2ALDH1A1HSD17B10MAPTTSHR
SCHEMBL16493239 0.79 ALDH1A1 (0.68) USP2ALDH1A1HSD17B10MAPTMEN1
SCHEMBL1611619 0.77 ALDH1A1 (0.61) USP2ALDH1A1HSD17B10MAPTMEN1
SCHEMBL24209906 0.75 TSHR (0.77) USP2ALDH1A1HSD17B10MAPTMEN1
SCHEMBL6279393 0.74 ALDH1A1 (1.00) USP2ALDH1A1HSD17B10MAPTMEN1
SCHEMBL1611721 0.73 LMNA (0.76) USP2ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL1493311 0.73 ALDH1A1 (0.76) USP2ALDH1A1MEN1KMT2ATSHR

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 3 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 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 USP2 3166/4885ALDH1A1 3233/4885HSD17B10 3334/4885

“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.