SCHEMBL16201673

SCHEMBL16201673

CC(C)n1c2c(c3ccccc31)CCC2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
CREBBP Q92793 1/20 0.51
TSHR P16473 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAOA P21397 4/20 0.46
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43
POLB P06746 3/20 0.42
HTT P42858 2/20 0.42
ALOX15 P16050 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL11352067 0.79 TP53 (0.60) TP53CREBBPTSHRALDH1A1MAOA
SCHEMBL16201667 0.79 ALDH1A1 (0.50) TP53CREBBPTSHRALDH1A1MAOA
SCHEMBL8792194 0.78 ALDH1A1 (0.62) TP53CREBBPTSHRALDH1A1MAOA
SCHEMBL16201640 0.77 CSNK2B (0.47) TP53CREBBPTSHRALDH1A1MAPT
SCHEMBL14701011 0.75 TP53 (0.51) TP53CREBBPTSHRALDH1A1MAOA
SCHEMBL16201650 0.74 MAPT (0.43) TP53CREBBPTSHRALDH1A1MAPT
SCHEMBL16201642 0.73 TSHR (0.40) TSHRALDH1A1MAOAMAPTMAPK1
SCHEMBL15723838 0.72 CSNK2B (0.58) TP53CREBBPTSHRMAPTMAPK1
SCHEMBL6071171 0.71 KDM4E (0.41) TP53CREBBPTSHRALDH1A1MAOA
SCHEMBL14160799 0.71 ALDH1A1 (0.53) TSHRALDH1A1MAPTMAPK1TDP1

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 TP53 975/4885CREBBP 261/4885TSHR 1973/4885

“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.