SCHEMBL214353

SCHEMBL214353

C1=Cc2ccccc2NN1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
PARP1 P09874 1/20 0.35

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
SCHEMBL29603099 1.00 GAA (0.50) GAAMAPTPARP1
Trifluoroacetic Acid SCHEMBL2246823 0.82 CES1 (0.36) GAAMAPT
SCHEMBL290837 0.74
SCHEMBL6857914 0.73 GAA (0.33) GAAMAPT
SCHEMBL5314863 0.70 ALDH1A1 (0.33) GAAMAPT
SCHEMBL14644353 0.69 CYP1A2 (0.32) GAAMAPT
Iminostilbene SCHEMBL29926907 0.67 MAPT (1.00) GAAMAPT
Iminostilbene SCHEMBL75288 0.67 MAPT (1.00) GAAMAPT
SCHEMBL184659 0.67 MAPT (0.52) GAAMAPT
SCHEMBL452873 0.65 GAA (0.44) GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113861128-A Polymerizable compound and optically anisotropic body 江苏创拓新材料有限公司 2021-12-31 CN claimed
CN-105348282-B A kind of HIV-1 integrase inhibitor compounds and its preparation method and application 北京工业大学 2018-06-29 CN claimed
CN-107531682-A Maleate salts of B-RAF kinase inhibitors, crystalline forms, processes for their preparation and their use 百济神州有限公司 2018-01-02 CN claimed
EP-2602242-A1 PROCESS FOR PREPARING COMPOUND BY NOVEL SANDMEYER-LIKE REACTION USING NITROXIDE RADICAL COMPOUND AS REACTION CATALYST DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-12 EP claimed
US-20130144061-A1 PROCESS FOR PREPARING A COMPOUND BY A NOVEL SANDMEYER-LIKE REACTION USING A NITROXIDE RADICAL COMPOUND AS A REACTION CATALYST DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-06 US claimed
EP-1852420-B1 Indole compounds for treating respiratory disorders ONO PHARMACEUTICAL CO (JP) 2012-10-17 EP claimed
US-8153625-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-10 US claimed
EP-1910379-B1 CASPASE INHIBITOR PRODRUGS VERTEX PHARMA (US) 2011-10-19 EP claimed
US-20110144074-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-16 US claimed
US-7879891-B2 such as (S)-Carbazole-9-carboxylic acid 1-(3a-fluoromethyl-5-oxo-3a,5,6,6a-tetrahydro-furo[3,2-d]oxazol-2-yl)-2-methyl-propyl ester, used for the treatment of diseases related to inflammatory or degenerative conditions VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-01 US claimed
EP-1740614-A2 CASPASE-2 INHIBITORS AND THEIR BIOLOGICAL APPLICATIONS Theraptosis S.A. (FR) 2007-01-10 EP claimed
US-7074782-B2 Carbamate caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-07-11 US claimed
WO-2005105829-A2 CASPASE-2 INHIBITORS AND THEIR BIOLOGICAL APPLICATIONS THERAPTOSIS S.A. (FR) 2005-11-10 WO claimed
US-20040053920-A1 Carbamate caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-03-18 US claimed
EP-1392289-A2 CASPASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2004-03-03 EP claimed
US-20030092703-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-05-15 US claimed
EP-1268425-A2 CARBAMATE CASPASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2003-01-02 EP claimed
WO-2002094263-A2 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-28 WO claimed
US-20020028803-A1 Carbamate caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2002-03-07 US claimed
WO-2001072707-A2 CARBAMATE CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-10-04 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20020028803-A1 Carbamate caspase inhibitors and uses thereof CASP1, CASP2, CASP3 GAA 3111/4885MAPT 4419/4885PARP1 1630/4885
US-20110144074-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP2, CASP9 GAA 4099/4885MAPT 4550/4885PARP1 1806/4885
US-20130144061-A1 PROCESS FOR PREPARING A COMPOUND BY A NOVEL SANDMEYER-LIKE REACTION USING A NITROXIDE RADICAL COMPOUND AS A REACTION CATALYST TYR, NOX5, NOXO1 GAA 2809/4885MAPT 3467/4885PARP1 4680/4885
US-20040053920-A1 Carbamate caspase inhibitors and uses thereof CASP1, CASP2, CASP3 GAA 3111/4885MAPT 4419/4885PARP1 1630/4885
US-20030092703-A1 Caspase inhibitors and uses thereof CASP1, CASP2, CASP3 GAA 3199/4885MAPT 4629/4885PARP1 585/4885

“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.