SCHEMBL16201646

SCHEMBL16201646

CC(C)c1c2n(c3ncccc13)CN(C)CC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.34
HTR6 P50406 2/20 0.34
TLR9 Q9NR96 7/20 0.34
TLR8 Q9NR97 7/20 0.34
TLR7 Q9NYK1 7/20 0.34
HTR1A P08908 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2B P41595 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR7 P34969 1/20 0.33
DRD3 P35462 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL16201654 0.80 TLR9 (0.37) HRH1HTR6TLR9TLR8TLR7
SCHEMBL16201666 0.77 CYP1A2 (0.43) HRH1HTR6HTR1AHTR2AHTR2B
SCHEMBL16201637 0.76 FEN1 (0.35) TLR9TLR8TLR7KDM4EALDH1A1
SCHEMBL16201636 0.74 PDE4A (0.36) TLR9TLR8TLR7ALDH1A1FEN1
SCHEMBL16201641 0.72 FEN1 (0.36) TLR9TLR8TLR7FEN1
SCHEMBL16201655 0.70 PDE4A (0.41) TLR9TLR8TLR7FEN1
SCHEMBL16201633 0.69 TLR8 (0.38) TLR9TLR8TLR7ALDH1A1FEN1
SCHEMBL29302055 0.67 FEN1 (0.44) TLR9TLR8TLR7KCNH2FEN1
SCHEMBL24101726 0.67 CYP1A2 (0.44) HRH1HTR6HTR1AHTR2AHTR2B
SCHEMBL30339398 0.67 CYP1A2 (0.44) HRH1HTR6HTR1AHTR2AHTR2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9345905-B2 Heterocyclic amides compounds which are HDAC6 inhibitors and used as anti-tumoral agents NANJING ALLGEN PHARMA CO. LTD. (CN) 2016-05-24 US disclosed
US-20140322229-A1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS BETA PHARMA CANADA INC. (CA) 2014-10-30 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-20140322229-A1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS HDAC6, HDAC1, HDAC7 HRH1 677/4885HTR6 4306/4885TLR9 1837/4885

“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.