SCHEMBL1491065

SCHEMBL1491065

CCCCOc1ccc(Cn2nccc2N)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
TSHR P16473 1/20 0.49
CYP2D6 P10635 4/20 0.48
CYP19A1 P11511 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 3/20 0.47
PKM P14618 2/20 0.47
RAB9A P51151 5/20 0.46
NPC1 O15118 3/20 0.46
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL1491134 0.94 KDM4E (0.55) KDM4ETSHRCYP2D6CYP19A1CYP3A4
SCHEMBL1491088 0.88 KDM4E (0.58) KDM4ETSHRALDH1A1PKMRAB9A
SCHEMBL174384 0.81 KDM4E (0.62) KDM4ECYP2D6CYP3A4CYP1A2CYP2C9
SCHEMBL6760429 0.80 KDM4E (0.81) KDM4ETSHRALDH1A1PKMRAB9A
Hydrochloric Acid SCHEMBL540053 0.80 KDM4E (0.60) KDM4ECYP2D6CYP3A4CYP1A2CYP2C9
SCHEMBL1491092 0.78 KDM4E (0.54) KDM4ECYP1A2CYP2C19ALDH1A1PKM
SCHEMBL1491061 0.78 KDM4E (0.57) KDM4ECYP2D6CYP3A4CYP1A2CYP2C9
SCHEMBL1491083 0.76 KDM4E (0.68) KDM4ETSHRCYP19A1CYP3A4CYP1A2
SCHEMBL1491072 0.76 KDM4E (0.58) KDM4ETSHRALDH1A1PKMTP53
SCHEMBL1491076 0.76 KDM4E (0.58) KDM4ECYP2D6CYP3A4CYP1A2CYP2C9

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 2955/4885TSHR 44/4885CYP2D6 1821/4885

“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.