SCHEMBL1491076

SCHEMBL1491076

Nc1ccnn1Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.53
PKM P14618 1/20 0.53
MGLL Q99685 2/20 0.49
FAAH O00519 1/20 0.49
BTK Q06187 1/20 0.44
LTA4H P09960 1/20 0.43
NPBWR1 P48145 2/20 0.43
MAOA P21397 1/20 0.43
CYP2C9 P11712 2/20 0.42
PPARG P37231 1/20 0.42
ABHD6 Q9BV23 1/20 0.40
CNR2 P34972 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL568868 0.85 KDM4E (0.72) KDM4EALDH1A1PKM
SCHEMBL1491092 0.84 KDM4E (0.54) KDM4EALDH1A1PKMMGLLFAAH
SCHEMBL6760429 0.83 KDM4E (0.81) KDM4EALDH1A1PKM
SCHEMBL174384 0.81 KDM4E (0.62) KDM4EALDH1A1PKMNPBWR1CYP2C9
Hydrochloric Acid SCHEMBL540053 0.79 KDM4E (0.60) KDM4EALDH1A1PKMNPBWR1CYP2C9
Hydrochloric Acid SCHEMBL29442137 0.79 KDM4E (0.60) KDM4EALDH1A1PKMNPBWR1CYP2C9
SCHEMBL1491072 0.78 KDM4E (0.58) KDM4EALDH1A1PKMPPARG
SCHEMBL1491088 0.78 KDM4E (0.58) KDM4EALDH1A1PKM
SCHEMBL1491061 0.77 KDM4E (0.57) KDM4EALDH1A1PKMCYP2C9CYP1A2
SCHEMBL1491057 0.76 KDM4E (0.70) KDM4EALDH1A1PKMNPBWR1

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.