SCHEMBL14213481

SCHEMBL14213481

CCc1ncc(CNC(C)C)cc1C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
PARP1 P09874 3/20 0.33
DYRK1A Q13627 1/20 0.32
SLC2A1 P11166 1/20 0.31
ADRA2C P18825 1/20 0.31
PDE2A O00408 1/20 0.31
PIK3CA P42336 1/20 0.31
MCHR1 Q99705 1/20 0.30

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
SCHEMBL14213085 0.82 ALDH1A1 (0.48) PIK3CA
SCHEMBL14213086 0.79 MAP4K1 (0.34) PARP1MCHR1
SCHEMBL25759811 0.78 NOS3 (0.36) PARP1
SCHEMBL14182600 0.77 KCNH2 (0.34) KCNH2CD274PARP1DYRK1ASLC2A1
SCHEMBL14213087 0.75 ALDH1A1 (0.41) KCNH2CD274PARP1
SCHEMBL14213088 0.71 DPP7 (0.48) PARP1
SCHEMBL14213161 0.71 KDM4E (0.38)
SCHEMBL14213771 0.70 KDM4E (0.39)
SCHEMBL14213343 0.70 S1PR2 (0.43)
SCHEMBL26788485 0.69 NOS3 (0.33) ADRA2C

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-20080119451-A1 Novel Benzamide Derivatives ASTRAZENECA AB (SE) 2008-05-22 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-20080119451-A1 Novel Benzamide Derivatives HDAC1, HDAC11, HDAC2 KCNH2 1230/4885CD274 2418/4885PARP1 127/4885

“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.