SCHEMBL596141

SCHEMBL596141

S=c1cc(-c2ccccc2)ss1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 9/20 0.63
HDAC4 P56524 9/20 0.63
HDAC1 Q13547 9/20 0.63
HDAC7 Q8WUI4 9/20 0.63
HDAC2 Q92769 9/20 0.63
HDAC10 Q969S8 9/20 0.63
HDAC11 Q96DB2 9/20 0.63
HDAC8 Q9BY41 9/20 0.63
HDAC6 Q9UBN7 9/20 0.63
HDAC9 Q9UKV0 9/20 0.63
HDAC5 Q9UQL6 9/20 0.63
MAOA P21397 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
PGR P06401 1/20 0.57
ADRB2 P07550 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
TBXA2R P21731 1/20 0.57
SLC6A2 P23975 1/20 0.57
NPY1R P25929 1/20 0.57

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
SCHEMBL11040858 0.81 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9534281 0.77 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16856765 0.77 HDAC6 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8457651 0.77 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2428473 0.77 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL596212 0.77 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17849753 0.77 HDAC8 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16856727 0.77 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17849760 0.77 CYP2A6 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4556769 0.76 HDAC1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4414363-A1 INDOLYLACETIC DERIVATIVES FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Miuli Pharma S.r.l. (IT) 2024-08-14 EP claimed
US-20150239864-A1 3H-1,2-DITHIOCYCLOPENTENE-3-THIOKETONE COMPOUNDS AND APPLICATION THEREOF SOOCHOW UNIVERSITY (CN) 2015-08-27 US claimed
EP-2889294-A1 3H-1,2-DITHIOCYCLOPENTENE-3-THIOKETONE COMPOUNDS AND APPLICATION THEREOF Soochow University (CN) 2015-07-01 EP claimed
EP-4414363-A1 INDOLYLACETIC DERIVATIVES FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Miuli Pharma S.r.l. (IT) 2024-08-14 EP disclosed
US-20150239864-A1 3H-1,2-DITHIOCYCLOPENTENE-3-THIOKETONE COMPOUNDS AND APPLICATION THEREOF SOOCHOW UNIVERSITY (CN) 2015-08-27 US disclosed
EP-2889294-A1 3H-1,2-DITHIOCYCLOPENTENE-3-THIOKETONE COMPOUNDS AND APPLICATION THEREOF Soochow University (CN) 2015-07-01 EP disclosed
US-8114858-B2 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2012-02-14 US disclosed
US-8114858-B2 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2012-02-14 US disclosed
US-8114857-B2 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2012-02-14 US disclosed
US-8114857-B2 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2012-02-14 US disclosed
US-8114857-B2 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2012-02-14 US disclosed
EP-0343573-A1 Medicines containing 1,2-dithiol-3-thion-S-oxyde compounds Kali-Chemie Pharma GmbH (DE) 1989-11-29 EP disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed
US-4396589-A Alkali metal complex compounds, and their use in the hydrogenation and nitridation of alkali metals STUDIENGESELLSCHAFT KOHLE MBH (DE) 1983-08-02 US disclosed
US-4370488-A CATALYSTS FOR HYDROGENATION OF ALFALI METALS STUDIENGESELLSCHAFT KOHLE MBH (DE) 1983-01-25 US disclosed
US-4301081-A FOR USE AS CATALYST FOR HYDROGENATION OF ALKALI METALS TO HYDRIDES OR NITRIDES STUDIENGESELLSCHAFT KOHLE MBH (DE) 1981-11-17 US disclosed
US-4229354-A COMPLEXING WITH COMPOUNDS OF SULFUR OR OXYGEN STUDIENGESELLSCHAFT KOHLE MBH (DE) 1980-10-21 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 (1 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-20150239864-A1 3H-1,2-DITHIOCYCLOPENTENE-3-THIOKETONE COMPOUNDS AND APPLICATION THEREOF TXN2, TXN, TXNRD2 HDAC3 1693/4885HDAC4 3294/4885HDAC1 1647/4885

“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.