SCHEMBL16201649

SCHEMBL16201649

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 3/20 0.40
CSNK2B P67870 3/20 0.40
CSNK2A1 P68400 3/20 0.40
ABCG2 Q9UNQ0 3/20 0.40
KCNH2 Q12809 2/20 0.40
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 2/20 0.39
HTR3A P46098 2/20 0.39
ADRA2C P18825 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
POLB P06746 3/20 0.39
HTT P42858 1/20 0.39
CASP6 P55212 1/20 0.38
NPY5R Q15761 1/20 0.37
PARP1 P09874 1/20 0.37
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL13157509 0.82 KCNH2 (0.54) KCNH2CYP1A2CYP3A4HTR3AADRA2C
SCHEMBL16201640 0.79 CSNK2B (0.47) CSNK2A2CSNK2BCSNK2A1ABCG2CYP1A2
SCHEMBL16201667 0.77 ALDH1A1 (0.50) POLBHTTMAPTTSHRMAPK1
SCHEMBL16201651 0.77 POLB (0.39) CSNK2A2CSNK2BCSNK2A1ABCG2KCNH2
SCHEMBL15723838 0.77 CSNK2B (0.58) CSNK2A2CSNK2BCSNK2A1ABCG2POLB
SCHEMBL10328 0.75 BRD4 (0.51) POLBHTTPRKD3PRKCGPRKCB
SCHEMBL16201668 0.75 CSNK2A2 (0.34) CSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL16201644 0.74 PARP1 (0.40) CSNK2A2CSNK2BCSNK2A1ABCG2CYP1A2
SCHEMBL13124748 0.74 KCNH2 (0.50) KCNH2CYP1A2CYP3A4HTR3AADRA2C
SCHEMBL20022674 0.73 KCNH2 (0.48) CSNK2A2CSNK2BCSNK2A1ABCG2KCNH2

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

“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.