SCHEMBL16201650

SCHEMBL16201650

CC(C)n1c2c(c3ccccc31)C(=O)CC2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 3/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CSNK2A2 P19784 3/20 0.39
CSNK2A1 P68400 3/20 0.39
CSNK2B P67870 2/20 0.39
ABCG2 Q9UNQ0 2/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
PRKD3 O94806 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39

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
SCHEMBL16201644 0.79 PARP1 (0.40) MAPTTSHRMAPK1CASP1CASP7
SCHEMBL16201673 0.74 TP53 (0.51) MAPTTSHRMAPK1CASP1CASP7
SCHEMBL16201640 0.74 CSNK2B (0.47) MAPTTSHRMAPK1CASP1CASP7
SCHEMBL15723838 0.72 CSNK2B (0.58) MAPTTSHRMAPK1CASP1CASP7
SCHEMBL14160799 0.71 ALDH1A1 (0.53) MAPTTSHRMAPK1CASP1CASP7
SCHEMBL16201659 0.71 POLB (0.40) MAPTTSHRMAPK1CASP1CASP7
SCHEMBL29780042 0.70 BCHE (0.59) MAPTTSHRMAPK1CASP1CASP7
SCHEMBL150044 0.70 BCHE (0.59) MAPTTSHRMAPK1CASP1CASP7
SCHEMBL16201642 0.70 TSHR (0.40) MAPTTSHRMAPK1CASP1CASP7
SCHEMBL16201651 0.70 POLB (0.39) MAPTTSHRMAPK1CASP1CASP7

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 MAPT 221/4885TSHR 1973/4885MAPK1 1242/4885

“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.