SCHEMBL1491137

SCHEMBL1491137

Nc1ccnn1Cc1ccncc1F

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 2/20 0.54
PKM P14618 2/20 0.54
LOXL2 Q9Y4K0 1/20 0.51
KCNH3 Q9ULD8 1/20 0.38
AOC1 P19801 2/20 0.37
AOC3 Q16853 2/20 0.37
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADORA2A P29274 4/20 0.33
ADORA1 P30542 4/20 0.33
NAMPT P43490 1/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
TRAP1 Q12931 1/20 0.32
ADRA2B P18089 1/20 0.32

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
SCHEMBL14488534 0.83 LOXL2 (0.50) KDM4EALDH1A1PKMLOXL2KCNH3
SCHEMBL1491068 0.80 ALDH1A1 (0.51) KDM4EALDH1A1PKMMAPTL3MBTL1
SCHEMBL1491110 0.72 KDM4E (1.00) KDM4EALDH1A1PKMLOXL2MAPT
SCHEMBL1491102 0.70 ALDH1A1 (1.00) KDM4EALDH1A1PKMADORA2AADORA1
SCHEMBL1491118 0.69 KDM4E (0.68) KDM4EALDH1A1PKMLOXL2MAPT
SCHEMBL3290073 0.69
SCHEMBL6760429 0.69 KDM4E (0.81) KDM4EALDH1A1PKMMAPT
SCHEMBL11651616 0.69 KDM4E (0.53) KDM4EALDH1A1PKM
SCHEMBL1493412 0.69 KDM4E (0.42) KDM4EALDH1A1PKM
SCHEMBL937844 0.68 ALDH1A1 (0.56) KDM4EALDH1A1LOXL2KCNH3L3MBTL1

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 KDM4E 2955/4885ALDH1A1 3233/4885PKM 2177/4885

“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.