SCHEMBL911074

SCHEMBL911074

Oc1ccc2sncc2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
HTT P42858 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
RUNX1 Q01196 2/20 0.44
CBFB Q13951 2/20 0.44
TRPM5 Q9NZQ8 11/20 0.43
GFER P55789 1/20 0.41
CLK1 P49759 2/20 0.39
DYRK1A Q13627 2/20 0.39
DYRK1B Q9Y463 2/20 0.39
TRPA1 O75762 1/20 0.39
CYP1A2 P05177 1/20 0.38
CA2 P00918 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL911755 0.83 ESR2 (0.41) GAAHTTALDH1A1MAPTHPGD
SCHEMBL7378448 0.74 TRPM5 (0.40) TRPM5TRPA1
SCHEMBL1144862 0.74 TRPM5 (0.43) ALDH1A1MAPTTRPM5TRPA1
SCHEMBL8073725 0.74 TRPM5 (0.46) TRPM5TRPA1
SCHEMBL910814 0.74 TRPM5 (0.40) GAAHTTALDH1A1MAPTHPGD
SCHEMBL27855062 0.74 ESR1 (0.45) TRPM5CLK1DYRK1ADYRK1BTRPA1
SCHEMBL26538140 0.71 ESR1 (0.46) ALDH1A1MAPTHPGDTRPM5DYRK1A
SCHEMBL28850754 0.70 NQO2 (0.34) GAAHTTALDH1A1MAPTHPGD
SCHEMBL23055253 0.69 TRPM5 (0.50) TRPM5TRPA1
SCHEMBL18171767 0.69 TRPM5 (0.52) TRPM5TRPA1

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-10787430-B2 Hemoglobin modifier compounds and uses thereof FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-09-29 US disclosed
EP-3606921-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. Inventiva (FR) 2020-02-12 EP disclosed
US-20190330181-A1 HEMOGLOBIN MODIFIER COMPOUNDS AND USES THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2019-10-31 US disclosed
WO-2018185266-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. INVENTIVA (FR) 2018-10-11 WO disclosed
WO-2017218960-A1 HEMOGLOBIN MODIFIER COMPOUNDS AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2017-12-21 WO disclosed
US-7868017-B2 9-azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2011-01-11 US disclosed
US-7868017-B2 9-azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2011-01-11 US disclosed
US-7868017-B2 9-azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2011-01-11 US disclosed
EP-1934212-A1 9-AZABICYCLO [3 . 3 . 1]NONANE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS N.V. Organon (NL) 2008-06-25 EP disclosed
US-20070112019-A1 9-Azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2007-05-17 US disclosed
US-20070112019-A1 9-Azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2007-05-17 US disclosed
US-20070112019-A1 9-Azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2007-05-17 US disclosed
WO-2007039563-A1 9-AZABICYCLO [3 . 3 . 1] NONANE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS N.V. ORGANON (NL) 2007-04-12 WO disclosed
WO-2007039563-A1 9-AZABICYCLO [3 . 3 . 1] NONANE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS N.V. ORGANON (NL) 2007-04-12 WO disclosed
EP-0157360-B1 CHROMOGENIC ESTERS OF AMINO ACIDS AND PEPTIDES, PROCESSES FOR THEIR PREPARATION, USE OF THESE AGENTS IN METHODS OF ANALYSIS AND AGENTS FOR DETECTION OF ESTEROLYTIC AND/OR PROTEOLYTIC ENZYMES MILES INC. (US) 1991-08-14 EP disclosed
US-4806423-A Agents and process for the detection of esterolytic and/or proteolytic enzymes MILES INC. (US) 1989-02-21 US disclosed
US-4723020-A Chromogenic amino acid esters and peptide esters MILES LABORATORIES, INC. (US) 1988-02-02 US disclosed
US-4589910-A Novel 4'(benzisothiazo-5-yloxy)-phenylurea derivatives, their preparation and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 1986-05-20 US disclosed
EP-0157360-A2 Chromogenic esters of amino acids and peptides, processes for their preparation, use of these agents in methods of analysis and agents for detection of esterolytic and/or proteolytic enzymes MILES INC. (US) 1985-10-09 EP disclosed
EP-0098972-A2 5-Phenoxybenzisothiazole-4'-urea derivatives, process for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1984-01-25 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 (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-20190330181-A1 HEMOGLOBIN MODIFIER COMPOUNDS AND USES THEREOF HBB, HBG1, HBG2 GAA 49/4885HTT 101/4885ALDH1A1 863/4885
US-10787430-B2 Hemoglobin modifier compounds and uses thereof HBB, HBG1, HBG2 GAA 49/4885HTT 101/4885ALDH1A1 863/4885
US-20070112019-A1 9-Azabicyclo[3.3.1]nonane derivatives AZI2, TPMT, TET3 GAA 1453/4885HTT 2814/4885ALDH1A1 441/4885

“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.