SCHEMBL16201669

SCHEMBL16201669

CC(C)n1c2c(c3sccc31)CCN(C)C2=O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
RAB9A P51151 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.31
ATM Q13315 1/20 0.31
MAPT P10636 1/20 0.30
USP2 O75604 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL16201668 0.78 CSNK2A2 (0.34)
SCHEMBL16201652 0.78
SCHEMBL16201667 0.75 ALDH1A1 (0.50) KDM4EALDH1A1RAB9AL3MBTL1GAA
SCHEMBL16201643 0.73 DRD2 (0.35) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL16201662 0.69 CYP1A2 (0.38) ALDH1A1GAA
SCHEMBL16201638 0.69 CYP2D6 (0.30)
SCHEMBL23312221 0.68 ALDH1A1 (0.39) KDM4EALDH1A1
SCHEMBL16201670 0.64 PDE4B (0.31)
SCHEMBL16869974 0.61 GRM5 (0.42) MAPT
SCHEMBL22175509 0.59 HPD (0.35) ALDH1A1RAB9AGAAMAPT

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 KDM4E 1948/4885ALDH1A1 609/4885RAB9A 553/4885

“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.