SCHEMBL1493311

SCHEMBL1493311

Cc1ccc(C)c(-n2nnnc2SCC(=O)O)c1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.76
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
LMNA P02545 5/20 0.62
RXFP1 Q9HBX9 1/20 0.61
TSHR P16473 6/20 0.58
HTT P42858 3/20 0.58
TP53 P04637 2/20 0.58
MAPK1 P28482 2/20 0.58
GAA P10253 2/20 0.58
HKDC1 Q2TB90 1/20 0.58
POLB P06746 2/20 0.58
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
USP2 O75604 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
PKM P14618 1/20 0.56

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
SCHEMBL1611721 0.90 LMNA (0.76) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL1493465 0.85 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL1493487 0.84 ALDH1A1 (0.79) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL17708393 0.82 ALDH1A1 (0.65) ALDH1A1MEN1KMT2ALMNARXFP1
SCHEMBL1610173 0.81 POLB (0.76) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL14605928 0.81 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ALMNARXFP1
SCHEMBL3455005 0.81 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ALMNARXFP1
SCHEMBL14605924 0.80 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ALMNARXFP1
SCHEMBL6282045 0.80 MEN1 (0.59) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL1612844 0.80 POLB (0.73) ALDH1A1MEN1KMT2ALMNATSHR

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

“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.