SCHEMBL907658

SCHEMBL907658

CC(=O)Oc1cccc(N)c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.61
TSHR P16473 2/20 0.50
CYP3A4 P08684 2/20 0.50
PIK3CA P42336 1/20 0.50
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 5/20 0.48
HSD17B10 Q99714 4/20 0.48
ALDH1A1 P00352 4/20 0.48
PTGS2 P35354 3/20 0.48
BLM P54132 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
HPGD P15428 2/20 0.48
ESR1 P03372 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
HMGB1 P09429 1/20 0.48
GGT1 P19440 1/20 0.48
PTGS1 P23219 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
PTPN1 P18031 1/20 0.46

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
SCHEMBL544041 0.87 ACHE (0.69) ACHETSHRCYP3A4MAPK1KDM4E
SCHEMBL3188087 0.86 KDM4E (0.50) ACHETSHRCYP3A4PIK3CAMAPK1
SCHEMBL362353 0.83 PTGS2 (0.57) ACHETSHRMAPK1KDM4EHSD17B10
SCHEMBL9297160 0.82 MAPK1 (0.61) ACHETSHRMAPK1KDM4EHSD17B10
SCHEMBL27833214 0.82 ESR1 (0.44) ACHETSHRCYP3A4PIK3CAMAPK1
SCHEMBL742810 0.82 ACHE (0.62) ACHETSHRCYP3A4MAPK1KDM4E
SCHEMBL31229899 0.82 ACHE (0.62) ACHETSHRCYP3A4MAPK1KDM4E
SCHEMBL1231281 0.82 PTGS2 (0.55) ACHETSHRMAPK1KDM4EHSD17B10
SCHEMBL5328398 0.81 MAPK1 (0.46) ACHETSHRCYP3A4MAPK1KDM4E
SCHEMBL10607470 0.80 PTPN1 (0.54) ACHETSHRCYP3A4MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0550866-B1 Process for the preparation of vinyl-substituted aromatics from arylamines HOECHST AG (DE) 1996-10-09 EP claimed
US-5475176-A Process for preparing vinyl-substituted aromatic compounds from arylamines HOECHST AKTIENGESELLSCHAFT (DE) 1995-12-12 US claimed
EP-0550866-A2 Process for the preparation of vinyl-substituted aromatics from arylamines HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-14 EP claimed
US-20230150936-A1 ANALOGS OF N,N,N-TRIMETHYL-4-PHOSPHORYLOXYTRYPTAMINE TERRAN BIOSCIENCES INC. 2023-05-18 US disclosed
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 US disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 US disclosed
EP-2573069-A2 Inhibitors of histone deacetylase and prodrugs thereof MethylGene Inc. (CA) 2013-03-27 EP disclosed
CN-101094827-B Benzene compound having two or more substituents DAIICHI SANKYO CO LTD 2012-06-13 CN disclosed
US-RE43343-E1 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-05-01 US disclosed
EP-2276756-B1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2011-11-30 EP disclosed
WO-2011137054-A1 NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-03 WO disclosed
CN-101094827-A Benzene compound having two or more substituents SANKYO CO (JP) 2007-12-26 CN disclosed
US-RE39850-E1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents METHYLGENE, INC. (CA) 2007-09-18 US disclosed
EP-1748046-A2 Inhibitors of histone deacetylase Methylgene, Inc. (CA) 2007-01-31 EP disclosed
US-6541661-B1 For treating cell proliferative diseases and conditions METHYLGENE, INC. (CA) 2003-04-01 US disclosed
EP-1233958-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2002-08-28 EP disclosed
WO-2001038322-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2001-05-31 WO disclosed
EP-0550866-B1 Process for the preparation of vinyl-substituted aromatics from arylamines HOECHST AG (DE) 1996-10-09 EP disclosed
US-5475176-A Process for preparing vinyl-substituted aromatic compounds from arylamines HOECHST AKTIENGESELLSCHAFT (DE) 1995-12-12 US disclosed
EP-0550866-A2 Process for the preparation of vinyl-substituted aromatics from arylamines HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-14 EP 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-20230150936-A1 ANALOGS OF N,N,N-TRIMETHYL-4-PHOSPHORYLOXYTRYPTAMINE PNMT, HTR4, HTR5A ACHE 780/4885TSHR 1767/4885CYP3A4 2156/4885
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 ACHE 2341/4885TSHR 4034/4885CYP3A4 2379/4885

“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.