SCHEMBL16201667

SCHEMBL16201667

CC(C)n1c2c(c3ccccc31)CCN(C)C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 4/20 0.50
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ATM Q13315 2/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 3/20 0.47
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 2/20 0.46
PDE5A O76074 5/20 0.42
MAOA P21397 2/20 0.42
MAPK1 P28482 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.38
CREBBP Q92793 1/20 0.38

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
SCHEMBL16201673 0.79 TP53 (0.51) ALDH1A1KDM4EL3MBTL1ATMMAPT
SCHEMBL6240542 0.77 RAB9A (0.48) ALDH1A1KDM4ERAB9AL3MBTL1ATM
SCHEMBL16201642 0.77 TSHR (0.40) ALDH1A1L3MBTL1ATMMAPTTSHR
SCHEMBL16201649 0.77 CSNK2A2 (0.40) ALDH1A1KDM4EATMMAPTTSHR
SCHEMBL16201669 0.75 KDM4E (0.32) ALDH1A1KDM4ERAB9AL3MBTL1ATM
SCHEMBL16201644 0.71 PARP1 (0.40) ALDH1A1ATMMAPTUSP2TSHR
SCHEMBL16201660 0.69 POLB (0.39) ALDH1A1ATMMAPTTSHRMAOA
SCHEMBL16201658 0.69 POLB (0.39) ALDH1A1L3MBTL1ATMMAPTTSHR
SCHEMBL14160799 0.67 ALDH1A1 (0.53) ALDH1A1KDM4EL3MBTL1ATMGAA
SCHEMBL16201640 0.67 CSNK2B (0.47) ALDH1A1L3MBTL1ATMMAPTTSHR

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 ALDH1A1 609/4885KDM4E 1948/4885RAB9A 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.