SCHEMBL1613253

SCHEMBL1613253

CC(C)(C)c1ccc(Cn2nccc2N)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.51
PKM P14618 1/20 0.51
DGAT1 O75907 1/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.38
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 0.38
F2R P25116 1/20 0.38
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
KCNH2 Q12809 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL6760429 0.86 KDM4E (0.81) KDM4EALDH1A1PKMKMT2APOLB
SCHEMBL1493361 0.83 KDM4E (0.67) KDM4EALDH1A1PKMPTGDR2
Hydrochloric Acid SCHEMBL22632987 0.82 KDM4E (0.65) KDM4EALDH1A1PKMPTGDR2
SCHEMBL1491083 0.81 KDM4E (0.68) KDM4EALDH1A1PKMKMT2APOLB
SCHEMBL3604074 0.80 TEAD1 (0.41) KDM4EALDH1A1PKMKMT2APOLB
SCHEMBL1491057 0.79 KDM4E (0.70) KDM4EALDH1A1PKMKMT2APOLB
SCHEMBL12340306 0.77 KDM4E (0.68) KDM4EALDH1A1PKMPOLBGAA
SCHEMBL1491118 0.77 KDM4E (0.68) KDM4EALDH1A1PKMPOLBLMNA
SCHEMBL1491110 0.77 KDM4E (1.00) KDM4EALDH1A1PKMKMT2AMEN1
SCHEMBL174384 0.77 KDM4E (0.62) KDM4EALDH1A1PKM

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 1 patent. 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

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.