SCHEMBL536908

SCHEMBL536908

C=C(C(=O)OC)c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
OGG1 O15527 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CYP1A2 P05177 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GSK3B P49841 2/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
HDAC3 O15379 1/20 0.40

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
SCHEMBL28282081 0.94 SLC6A3 (0.45) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL5057415 0.89 ALDH1A1 (0.46) MAPTCES2CES1CA1CA2
Butane SCHEMBL7720074 0.82 TDP1 (0.41) MAPTCA1CA2ATMHPGD
SCHEMBL9300725 0.82 TDP1 (0.57) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL4910303 0.82 CA1 (0.57) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL9299063 0.82 MAPT (0.48) KMT2AMAPTRAB9ALMNAMAPK1
SCHEMBL27468651 0.82 CA1 (0.57) MAPTLMNACA1CA2HPGD
SCHEMBL20013249 0.80 LMNA (0.44) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL2576355 0.80 RAB9A (0.47) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL191087 0.80 HPGD (0.48) MEN1KMT2AMAPTRAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5352820-A Expedient route to aryl propenoic esters AMERICAN CYANAMID COMPANY 1994-10-04 US claimed
US-20230399341-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME LLC (US) 2023-12-14 US disclosed
US-20230399341-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME LLC (US) 2023-12-14 US disclosed
US-20230399341-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME LLC (US) 2023-12-14 US disclosed
EP-4240363-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 Merck Sharp & Dohme LLC (US) 2023-09-13 EP disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed
WO-2022098806-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME CORP. (US) 2022-05-12 WO disclosed
CN-110156649-A A kind of method that silver catalysis prepares 3- phenyl -2- phenyl disulphanes Tri- n -butyltin methacrylate compound 浙江农林大学暨阳学院 2019-08-23 CN disclosed
CN-104892447-A Method for preparing high-purity alpha-dehydroamino acid compounds ZHOU ZHIGUO 2015-09-09 CN disclosed
US-9108957-B2 3-[1,4]oxazepane-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-18 US disclosed
US-9108957-B2 3-[1,4]oxazepane-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-18 US disclosed
US-20120095216-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-04-19 US disclosed
US-20120095216-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-04-19 US disclosed
EP-2414349-A1 3-Ý1,4¨OXAZEPANE-4-PYRIMIDONE DERIVATIVES Mitsubishi Tanabe Pharma Corporation (JP) 2012-02-08 EP disclosed
CN-1578663-B Histone deacetylase inhibitors METHYLGENE INC 2011-05-25 CN disclosed
WO-2010114179-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-10-07 WO disclosed
WO-2010114179-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-10-07 WO disclosed
CN-101475504-A 2-acetyl-3-amino-3-aryl-acrylic acid esters and preparation thereof UNIV SOOCHOW (CN) 2009-07-08 CN disclosed
CN-1578663-A Histone deacetylase inhibitors METHYLGENE INC (CA) 2005-02-09 CN disclosed
US-5352820-A Expedient route to aryl propenoic esters AMERICAN CYANAMID COMPANY 1994-10-04 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 (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-20120095216-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES PSEN1, MAPT, PSEN2 MEN1 3824/4885KMT2A 2756/4885MAPT 2/4885
US-20230399341-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 PHKG1, PDXK, HIPK1 MEN1 2651/4885KMT2A 1122/4885MAPT 4119/4885

“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.