SCHEMBL16201668

SCHEMBL16201668

CC(C)n1c2c(c3sccc31)C(=O)N(C)CC2

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 2/20 0.34
▸ CSNK2B P67870 2/20 0.34
▸ CSNK2A1 P68400 2/20 0.34
▸ ABCG2 Q9UNQ0 2/20 0.34

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
SCHEMBL16201669 0.78 KDM4E (0.32) —
SCHEMBL16201670 0.75 PDE4B (0.31) —
SCHEMBL16201649 0.75 CSNK2A2 (0.40) CSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL16201662 0.72 CYP1A2 (0.38) —
SCHEMBL16201643 0.70 DRD2 (0.35) —
SCHEMBL23312221 0.68 ALDH1A1 (0.39) —
SCHEMBL16201652 0.65 — —
SCHEMBL16201638 0.63 CYP2D6 (0.30) —
SCHEMBL16869974 0.61 GRM5 (0.42) —
SCHEMBL13157509 0.59 KCNH2 (0.54) —

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.

Send feedback