SCHEMBL16201640

SCHEMBL16201640

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2B P67870 4/20 0.47
CSNK2A1 P68400 4/20 0.47
CSNK2A2 P19784 3/20 0.47
ABCG2 Q9UNQ0 3/20 0.47
POLB P06746 4/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 1/20 0.41
CREBBP Q92793 1/20 0.41
TSHR P16473 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
PRKD3 O94806 1/20 0.39
PRKCG P05129 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
SCHEMBL15723838 0.91 CSNK2B (0.58) CSNK2BCSNK2A1CSNK2A2ABCG2POLB
SCHEMBL10328 0.80 BRD4 (0.51) POLBHTTCREBBPPRKD3PRKCG
SCHEMBL16201659 0.80 POLB (0.40) CSNK2BCSNK2A1CSNK2A2ABCG2POLB
SCHEMBL16201649 0.79 CSNK2A2 (0.40) CSNK2BCSNK2A1CSNK2A2ABCG2POLB
SCHEMBL984 0.78 HTR2A (0.54) TP53CREBBPTSHRMAPK1CYP1A2
SCHEMBL16201673 0.77 TP53 (0.51) CSNK2BCSNK2A1CSNK2A2ABCG2POLB
SCHEMBL16201650 0.74 MAPT (0.43) CSNK2BCSNK2A1CSNK2A2ABCG2POLB
SCHEMBL6824387 0.73 CA1 (0.53) TSHRMAPTMAPK1CASP1CASP7
SCHEMBL16201651 0.73 POLB (0.39) CSNK2BCSNK2A1CSNK2A2ABCG2POLB
SCHEMBL14160799 0.71 ALDH1A1 (0.53) POLBHTTTSHRMAPTMAPK1

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 CSNK2B 1637/4885CSNK2A1 1618/4885CSNK2A2 1679/4885

“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.