SCHEMBL1491073

SCHEMBL1491073

COc1cc(OC)c(OC)cc1Cn1nccc1N

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
CYP19A1 P11511 1/20 0.43
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
HTR2A P28223 1/20 0.40
HTT P42858 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
DHFR P00374 1/20 0.35

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
SCHEMBL1491082 0.84 APLNR (0.50) KDM4EALDH1A1PKMHTTLMNA
SCHEMBL1491059 0.81 NPBWR1 (0.48) KDM4EALDH1A1PKMHTTTDP1
SCHEMBL28863558 0.80 KDM4E (0.43) KDM4EALDH1A1PKMPOLBGAA
SCHEMBL1491108 0.80 LMNA (0.55) KDM4ECYP19A1ALDH1A1PKMHTT
SCHEMBL1491062 0.79 MEN1 (0.49) KDM4EALDH1A1PKMLMNAPOLB
SCHEMBL1491091 0.79 CHRM2 (0.47) KDM4EALDH1A1PKMHTR2AHTT
SCHEMBL11651609 0.78 KDM4E (0.45) KDM4EALDH1A1PKMLMNAMAPT
SCHEMBL1491095 0.77 KDM4E (0.53) KDM4ECYP19A1ALDH1A1PKMHTR2A
SCHEMBL1491075 0.75 KDM4E (0.50) KDM4EALDH1A1PKMHTTLMNA
SCHEMBL1491124 0.74 KDM4E (0.49) KDM4ECYP19A1ALDH1A1PKMHTT

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 2955/4885CYP19A1 853/4885ALDH1A1 3233/4885

“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.