SCHEMBL9892966

SCHEMBL9892966

NNC(=O)c1ccc(C2CCCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.71
HDAC6 Q9UBN7 3/20 0.71
HDAC1 Q13547 1/20 0.71
MAPT P10636 3/20 0.65
ALDH1A1 P00352 2/20 0.65
LMNA P02545 2/20 0.65
DEGS1 O15121 2/20 0.58
HDAC3 O15379 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HAO1 Q9UJM8 1/20 0.57
MPO P05164 2/20 0.52
CYP3A4 P08684 2/20 0.52
KDM5A P29375 1/20 0.52
BLM P54132 1/20 0.52
GFER P55789 1/20 0.52
PMP22 Q01453 1/20 0.52
HIF1A Q16665 1/20 0.52
NAMPT P43490 1/20 0.51
KDM4E B2RXH2 2/20 0.50
OGG1 O15527 1/20 0.50

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
SCHEMBL7332673 0.98 HDAC8 (0.69) HDAC8HDAC6HDAC1MAPTALDH1A1
SCHEMBL8132995 0.96 HDAC8 (0.66) HDAC8HDAC6HDAC1MAPTALDH1A1
SCHEMBL18811605 0.91 HDAC8 (0.59) HDAC8HDAC6HDAC1MAPTALDH1A1
SCHEMBL32669061 0.84 MAPT (0.60) HDAC8HDAC6HDAC1MAPTALDH1A1
SCHEMBL14880018 0.81 HDAC6 (0.96) HDAC8HDAC6HDAC1MAPTALDH1A1
SCHEMBL10283170 0.80 HDAC8 (0.69) HDAC8HDAC6HDAC1MAPTALDH1A1
SCHEMBL9702868 0.79 MAPT (1.00) HDAC8HDAC6HDAC1MAPTALDH1A1
SCHEMBL9702876 0.79 MAPT (1.00) HDAC8HDAC6HDAC1MAPTALDH1A1
SCHEMBL27868423 0.79 NPC1 (0.68) HDAC8HDAC6HDAC1ALDH1A1LMNA
SCHEMBL17963141 0.79 HDAC8 (0.61) HDAC8HDAC6HDAC1DEGS1HDAC3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 US disclosed
EP-3843844-A1 COMPOUNDS UCL Business Ltd (GB) 2021-07-07 EP disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 WO disclosed
US-20120142672-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 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 (3 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-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 HDAC8 878/4885HDAC6 178/4885HDAC1 345/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT HDAC8 1247/4885HDAC6 186/4885HDAC1 525/4885
US-20120142672-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, APP, BACE2 HDAC8 1912/4885HDAC6 699/4885HDAC1 1027/4885

“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.