SCHEMBL1493496

SCHEMBL1493496

Cc1ccc(-n2nnnc2SCC(=O)Nc2cc(C)nn2C)c(C)c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.70
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
ALDH1A1 P00352 9/20 0.62
HSD17B10 Q99714 2/20 0.62
ALOX15 P16050 2/20 0.62
USP2 O75604 1/20 0.62
NTRK1 P04629 1/20 0.61
NTRK2 Q16620 1/20 0.61
TSHR P16473 6/20 0.60
SMN1; SMN2 Q16637 3/20 0.58
CYP3A4 P08684 1/20 0.58
RECQL P46063 1/20 0.58
PKM P14618 1/20 0.56
TP53 P04637 1/20 0.54
HTT P42858 2/20 0.54
TDP1 Q9NUW8 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL1493451 0.88 NTRK1 (0.69) LMNAMEN1KMT2AALDH1A1HSD17B10
SCHEMBL1493450 0.83 ALDH1A1 (0.66) LMNAMEN1KMT2AALDH1A1HSD17B10
SCHEMBL1493403 0.80 NTRK1 (0.69) LMNAMEN1KMT2AALDH1A1NTRK1
SCHEMBL1611721 0.79 LMNA (0.76) LMNAMEN1KMT2AALDH1A1HSD17B10
SCHEMBL1493291 0.78 NTRK1 (0.67) LMNAMEN1KMT2AALDH1A1NTRK1
SCHEMBL1493514 0.78 NTRK1 (0.69) LMNAMEN1KMT2AALDH1A1NTRK1
SCHEMBL19248206 0.76 LMNA (0.71) LMNAMEN1KMT2AALDH1A1HSD17B10
SCHEMBL1493509 0.76 NTRK1 (0.85) LMNAMEN1KMT2AALDH1A1NTRK1
SCHEMBL1493588 0.76 NTRK1 (0.85) LMNAALDH1A1HSD17B10ALOX15USP2
SCHEMBL1493358 0.75 MEN1 (0.58) LMNAMEN1KMT2AALDH1A1HSD17B10

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 LMNA 4145/4885MEN1 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.