SCHEMBL1491084

SCHEMBL1491084

COc1cncc(Cn2nccc2N)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
PKM P14618 1/20 0.56
KDM4E B2RXH2 1/20 0.54
GRIN2B Q13224 13/20 0.48
GRIN1 Q05586 12/20 0.48
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
KCNH2 Q12809 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
SCHEMBL1491056 0.81 MEN1 (0.57) ALDH1A1PKMKDM4EMEN1KMT2A
SCHEMBL174384 0.80 KDM4E (0.62) ALDH1A1PKMKDM4E
Hydrochloric Acid SCHEMBL540053 0.79 KDM4E (0.60) ALDH1A1PKMKDM4E
Hydrochloric Acid SCHEMBL29442137 0.79 KDM4E (0.60) ALDH1A1PKMKDM4E
SCHEMBL1491054 0.78 GRIN2B (0.43) GRIN2BGRIN1
SCHEMBL1491095 0.74 KDM4E (0.53) ALDH1A1PKMKDM4EMEN1KMT2A
SCHEMBL1491108 0.74 LMNA (0.55) ALDH1A1PKMKDM4EKMT2A
SCHEMBL29696195 0.74 CYP19A1 (0.49) ALDH1A1PKMKDM4EMEN1KMT2A
SCHEMBL1491113 0.72 ALDH1A1 (0.54) ALDH1A1PKMKDM4EGRIN2BGRIN1
SCHEMBL1491102 0.72 ALDH1A1 (1.00) ALDH1A1PKMKDM4ECYP11B1

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

“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.