SCHEMBL1493440

SCHEMBL1493440

COc1cccc(-n2nnnc2SCC(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.71
HPGD P15428 2/20 0.71
NPSR1 Q6W5P4 1/20 0.71
HSD17B10 Q99714 1/20 0.71
POLB P06746 2/20 0.70
ALDH1A1 P00352 7/20 0.69
MAPT P10636 4/20 0.67
LMNA P02545 3/20 0.67
MAPK1 P28482 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.66
ESR1 P03372 1/20 0.66
USP2 O75604 1/20 0.64
ALOX15 P16050 1/20 0.62
HTT P42858 1/20 0.61

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
SCHEMBL1612844 0.85 POLB (0.73) TSHRHPGDHSD17B10POLBALDH1A1
SCHEMBL1612584 0.84 L3MBTL1 (0.79) POLBALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL1610031 0.83 POLB (1.00) TSHRHPGDPOLBALDH1A1MAPT
SCHEMBL7992707 0.82 POLB (0.97) TSHRHPGDPOLBALDH1A1MAPT
SCHEMBL1493471 0.81 LMNA (0.68) TSHRHPGDNPSR1HSD17B10POLB
SCHEMBL1493482 0.81 USP2 (0.77) TSHRHPGDNPSR1HSD17B10POLB
SCHEMBL29473331 0.81 ALDH1A1 (0.75) TSHRHPGDNPSR1HSD17B10POLB
SCHEMBL8188675 0.77 ALDH1A1 (0.72) HSD17B10POLBALDH1A1MAPTMAPK1
SCHEMBL1493449 0.77 POLB (0.68) POLBALDH1A1MAPTLMNAMAPK1
SCHEMBL1610173 0.77 POLB (0.76) TSHRHSD17B10POLBALDH1A1MAPT

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 TSHR 44/4885HPGD 3219/4885NPSR1 9/4885

“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.