SCHEMBL2354804

SCHEMBL2354804

CC(C)(C)OC(=O)N(N)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 3/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 1/20 0.41
GSK3B P49841 1/20 0.40
CHRM4 P08173 2/20 0.39
CHRM3 P20309 2/20 0.39
BCHE P06276 1/20 0.39
BRD4 O60885 1/20 0.39
PAX8 Q06710 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL2529611 0.90 MT-CO2 (0.42) L3MBTL1RAB9AGSK3BBCHEBRD4
SCHEMBL5604575 0.90 PAX8 (0.43) KMT2ACYP2C9SMN1; SMN2BRD4PAX8
SCHEMBL12140384 0.87 BRD4 (0.40) L3MBTL1NPSR1KMT2AMEN1CYP3A4
SCHEMBL1706045 0.87 FFAR1 (0.41) NPSR1SMN1; SMN2RAB9APAX8MAPT
SCHEMBL504005 0.85 L3MBTL1 (0.55) L3MBTL1TDP1ATMNPSR1KMT2A
SCHEMBL5766183 0.84 MAPT (0.42) KMT2AMEN1SMN1; SMN2PAX8ALDH1A1
SCHEMBL977449 0.84 ALDH1A1 (0.42) TDP1NPSR1KMT2AMEN1CYP3A4
SCHEMBL3410365 0.84 MT-CO2 (0.39) TDP1KMT2ASMN1; SMN2RAB9APAX8
SCHEMBL15948302 0.82 F2 (0.38) KMT2AGSK3BPAX8CHRM5MAPT
SCHEMBL273986 0.82 MEN1 (0.39) KMT2AMEN1SMN1; SMN2RAB9APAX8

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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111699250-B Carboxylesterase polypeptides for amide coupling 科德克希思公司 2024-01-09 CN disclosed
CN-116685583-A Pyrimidine compounds, compositions and pharmaceutical uses thereof 缆图药品公司 2023-09-01 CN disclosed
CN-113683629-B Substituted heteroaryl compounds, compositions and uses thereof 北京范恩柯尔生物科技有限公司 2023-07-04 CN disclosed
CN-115991884-A Resin microsphere with covalent bonding heavy metal ion probe and application thereof 华中师范大学 2023-04-21 CN disclosed
CN-114195676-B Biarylhydrazine compound and adduct thereof and application of compound in preparation of antitumor drugs 广州药本君安医药科技股份有限公司 2022-08-05 CN disclosed
CN-114195676-A Biarylhydrazine compound and adduct thereof and application of compound in preparation of antitumor drugs 广州药本君安医药科技股份有限公司 2022-03-18 CN disclosed
CN-113683629-A Substituted heteroaryl compounds, compositions and uses thereof 北京范恩柯尔生物科技有限公司 2021-11-23 CN disclosed
CN-108137505-B Nitrogen-containing heterocyclic compound 富士胶片株式会社 2021-07-06 CN disclosed
US-10987349-B2 Antitumor agent and bromodomain inhibitor FUJIFILM CORPORATION (JP) 2021-04-27 US disclosed
EP-3563851-B1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR FUJIFILM CORP (JP) 2021-04-21 EP disclosed
US-7241773-B2 3-quinuclidinyl heteroatom bridged biaryl derivatives ABBOTT LABORATORIES (US) 2007-07-10 US disclosed
US-7241773-B2 3-quinuclidinyl heteroatom bridged biaryl derivatives ABBOTT LABORATORIES (US) 2007-07-10 US disclosed
US-7202257-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2007-04-10 US disclosed
US-20070037808-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-02-15 US disclosed
US-20070037808-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-02-15 US disclosed
CN-1854128-A Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INST TECHNOLOGY (US) 2006-11-01 CN disclosed
CN-1266112-C Copper-catalyzed carbon-heteroatom and carbon-carbon bond formation MASSACHUSETTS INST TECHNOLOGY (US) 2006-07-26 CN disclosed
US-20060058298-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2006-03-16 US disclosed
EP-1429765-A2 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2004-06-23 EP disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 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 (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-20070037808-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 L3MBTL1 1627/4885TDP1 1232/4885ATM 1158/4885
US-10987349-B2 Antitumor agent and bromodomain inhibitor BRD4, BRD1, BRD3 L3MBTL1 209/4885TDP1 2957/4885ATM 3490/4885
US-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 L3MBTL1 1291/4885TDP1 926/4885ATM 2106/4885

“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.