SCHEMBL22185077

SCHEMBL22185077

COc1ccc(NC(=O)C(C)(C)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.62
HDAC4 P56524 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
HDAC5 Q9UQL6 1/20 0.62
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
RAB9A P51151 10/20 0.58
NPC1 O15118 9/20 0.58
PDK1 Q15118 2/20 0.57
PDK2 Q15119 2/20 0.57
PDK3 Q15120 2/20 0.57
PDK4 Q16654 2/20 0.57
SMN1; SMN2 Q16637 7/20 0.54

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
SCHEMBL4965466 0.85 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7832010 0.81 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28465548 0.81 HDAC3 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1576968 0.81 PDK1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11356431 0.80 L3MBTL1 (0.73) MEN1KMT2ARAB9ANPC1PDK1
SCHEMBL28014749 0.80 PDK1 (0.63) MEN1KMT2ARAB9ANPC1PDK1
SCHEMBL7038396 0.79 RAB9A (0.55) MEN1KMT2ARAB9ANPC1PDK1
SCHEMBL7835891 0.79 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31745201 0.78 PDK1 (0.66) MEN1KMT2ARAB9ANPC1PDK1
SCHEMBL673402 0.77 HDAC6 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10974232-B2 Catalyst, method for forming amide bond, and method for producing amide compound MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2021-04-13 US disclosed
US-20200206724-A1 Catalyst, Method for Forming Amide Bond, and Method for Producing Amide Compound MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2020-07-02 US disclosed
CN-108440328-A A kind of amide takes off boc-protected method 常熟理工学院 2018-08-24 CN 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 (2 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-20200206724-A1 Catalyst, Method for Forming Amide Bond, and Method for Producing Amide Compound ASNS, NAAA, PYM1 HDAC3 793/4885HDAC4 154/4885HDAC1 46/4885
US-10974232-B2 Catalyst, method for forming amide bond, and method for producing amide compound ASNS, NAAA, PYM1 HDAC3 793/4885HDAC4 154/4885HDAC1 46/4885

“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.