SCHEMBL3159042

SCHEMBL3159042

c1csc(CNCc2cccs2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.68
POLB P06746 2/20 0.66
KMT2A Q03164 2/20 0.66
MEN1 O00255 1/20 0.66
L3MBTL1 Q9Y468 3/20 0.61
MAOB P27338 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
ALDH1A1 P00352 3/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
MAPK1 P28482 1/20 0.56
RECQL P46063 1/20 0.56
GFER P55789 1/20 0.56
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
USP2 O75604 1/20 0.52
TDP1 Q9NUW8 1/20 0.50

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
Hydrochloric Acid SCHEMBL6122085 0.97 KMT2A (0.69) LMNAPOLBKMT2AMEN1L3MBTL1
SCHEMBL22305112 0.89 LMNA (0.68) LMNAPOLBKMT2AMEN1L3MBTL1
SCHEMBL3625005 0.87 LMNA (0.71) LMNAPOLBKMT2AMEN1L3MBTL1
SCHEMBL2719543 0.86
SCHEMBL4524507 0.86
SCHEMBL13922748 0.86
Hydrochloric Acid SCHEMBL28571763 0.84 KMT2A (0.66) LMNAPOLBKMT2AMEN1L3MBTL1
SCHEMBL10962630 0.84 MAOB (0.59) LMNAPOLBKMT2AMEN1L3MBTL1
SCHEMBL23736016 0.84 LMNA (0.62) LMNAPOLBKMT2AMEN1L3MBTL1
Hydrochloric Acid SCHEMBL6127562 0.83 MAOB (0.72) LMNAPOLBKMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700628-B2 Aromatic ether derivatives useful as thrombin inhibitors ELI LILLY AND COMPANY (US) 2010-04-20 US claimed
EP-1817287-B1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS LILLY CO ELI (US) 2010-02-10 EP claimed
US-7615659-B2 Preparing a palladium(0) compound by the reaction of a palladium compound with a silicone containing compound in the presence of a base; palladium(0) compounds are suitable as homogeneous catalysts, or as precursors for preparing homogeneous catalysts; storage stability UMICORE AG & CO. KG (DE) 2009-11-10 US claimed
US-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY 2009-09-10 US claimed
EP-1558621-B1 METHODS FOR THE PREPARATION OF COMPOUNDS CONTAINING PALLADIUM (0) UMICORE AG & CO KG (DE) 2008-01-23 EP claimed
EP-1817287-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS Eli Lilly and Company (US) 2007-08-15 EP claimed
WO-2006057845-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY (US) 2006-06-01 WO claimed
US-20060106239-A1 Method for the production of compounds containing palladium(0) UMICORE AG & CO. KG (DE) 2006-05-18 US claimed
EP-1558621-A2 METHOD FOR THE PRODUCTION OF COMPOUNDS CONTAINING PALLADIUM (0) Umicore AG & Co. KG (DE) 2005-08-03 EP claimed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US claimed
WO-2004039819-A2 METHOD FOR THE PRODUCTION OF COMPOUNDS CONTAINING PALLADIUM (0) UMICORE AG & CO. KG (DE) 2004-05-13 WO claimed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP claimed
US-6686495-B2 IN PRESENCE OF PALLADIUM CATALYST; USEFUL IN PRODUCING CHEMICAL INTERMEDIATES FOR PHARMACEUTICALS, OPTICAL BRIGHTENING AGENTS AND AGROCHEMICALS OMG AG & CO KG (DE) 2004-02-03 US claimed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO claimed
US-20020107426-A1 Process for the preparation of mono-, bi- or poly- functional biaryls UMICORE AG & CO. KG (DE) 2002-08-08 US claimed
EP-1199292-A1 Process for the production of mono-, bi- or polyfunctional biaryls OMG AG & Co. KG (DE) 2002-04-24 EP claimed
EP-4384516-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS Texas Heart Institute (US) 2024-06-19 EP disclosed
CN-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 CN disclosed
US-5321047-A Antidepressant JOHN WYETH & BROTHER, LIMITED (GB) 1994-06-14 US disclosed
EP-0345068-A2 Agonist of gamma-aminobutyric acid JOHN WYETH & BROTHER LIMITED (GB) 1989-12-06 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 (4 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-20060106239-A1 Method for the production of compounds containing palladium(0) RPS19, SCO2, MMS19 LMNA 4664/4885POLB 200/4885KMT2A 2029/4885
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE LMNA 1707/4885POLB 2141/4885KMT2A 4623/4885
US-20020107426-A1 Process for the preparation of mono-, bi- or poly- functional biaryls CYP4F3, CYP4F2, CYP2F1 LMNA 1670/4885POLB 113/4885KMT2A 2368/4885
US-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS TFPI, F2, F11 LMNA 939/4885POLB 4133/4885KMT2A 2775/4885

“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.