SCHEMBL546162

SCHEMBL546162

CC(N)c1cccc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CYP17A1 P05093 1/20 0.46
IDO1 P14902 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
AURKA O14965 2/20 0.44
RPS6KB1 P23443 2/20 0.44
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
FADS1 O60427 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
KAT6A Q92794 1/20 0.42
CA1 P00915 2/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL12743181 0.88 FADS1 (0.51) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL13734965 0.87 MEN1 (0.63) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL21377414 0.87 MEN1 (0.63) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL28360251 0.87 RXFP1 (0.48) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL29910146 0.87 RXFP1 (0.48) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL28032815 0.87 MEN1 (0.63) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL11090583 0.86 HDAC1 (0.45) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL11090585 0.86 HDAC1 (0.45) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL11090579 0.86 HDAC1 (0.45) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL13735757 0.86 MEN1 (0.47) MEN1KMT2AHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137547-B Heterocyclic compounds useful as TNF alpha modulators 百时美施贵宝公司 2021-11-12 CN disclosed
CN-108137547-A It can be used as the heterocyclic compound of TNF α conditioning agent 百时美施贵宝公司 2018-06-08 CN disclosed
EP-2170834-B1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES ABBVIE INC (US) 2014-01-08 EP disclosed
US-8110572-B2 Inhibitors of protein kinases ABBOTT LABORATORIES (US) 2012-02-07 US disclosed
EP-2170834-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES Abbott Laboratories (US) 2010-04-07 EP disclosed
US-20090054430-A1 Inhibitors of Protein Kinases ABBOTT LABORATORIES (US) 2009-02-26 US disclosed
WO-2009012312-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2009-01-22 WO 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-20090054430-A1 Inhibitors of Protein Kinases AURKC, AURKB, PLK1 MEN1 950/4885KMT2A 1632/4885HDAC3 1233/4885

“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.