SCHEMBL193869

SCHEMBL193869

O=Cc1ccccc1Sc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
LMNA P02545 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 2/20 0.50
BLM P54132 2/20 0.50
THRB P10828 1/20 0.50
SIRT1 Q96EB6 1/20 0.46
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NSD2 O96028 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 5/20 0.41
TSHR P16473 1/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL7188592 0.86 ALDH1A1 (0.45) KMT2ALMNATDP1MEN1BLM
SCHEMBL7195380 0.84 NR1H2 (0.46) KMT2ALMNATDP1MEN1BLM
SCHEMBL1466237 0.84 MEN1 (0.43) KMT2ALMNATDP1MEN1BLM
SCHEMBL6765841 0.84 L3MBTL1 (0.48) KMT2ALMNATDP1MEN1BLM
SCHEMBL2271692 0.84 HDAC1 (0.57) KMT2ALMNATDP1MEN1BLM
SCHEMBL7191097 0.84 PKM (0.46) KMT2ALMNATDP1MEN1BLM
SCHEMBL8363033 0.84 LMNA (0.51) KMT2ALMNATDP1MEN1BLM
SCHEMBL3848297 0.83 KMT2A (0.44) KMT2ALMNATDP1MEN1BLM
SCHEMBL8531236 0.80 HDAC1 (0.40) KMT2ALMNATDP1MEN1BLM
SCHEMBL5320711 0.80 ALDH1A1 (0.54) KMT2ALMNAMEN1ALDH1A1TRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7010829-A None JP disclosed
US-9718849-B2 Sulfur chelated ruthenium compounds useful as olefin metathesis catalysts BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2017-08-01 US disclosed
US-9718849-B2 Sulfur chelated ruthenium compounds useful as olefin metathesis catalysts BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2017-08-01 US disclosed
EP-2655303-B1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH TETRADENTATE AMINO/IMINO-THIOETHER BASED RUTHENIUM COMPLEXES FIRMENICH & CIE (CH) 2017-02-22 EP disclosed
WO-2016019588-A1 OXACAZONE COMPOUNDS TO TREAT CLOSTRIDIUM DIFFICILE THE BROAD INSTITUTE, INC. (US) 2016-02-11 WO disclosed
US-20140155511-A1 SULFUR CHELATED RUTHENIUM COMPOUNDS USEFUL AS OLEFIN METATHESIS CATALYSTS BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2014-06-05 US disclosed
US-20140155511-A1 SULFUR CHELATED RUTHENIUM COMPOUNDS USEFUL AS OLEFIN METATHESIS CATALYSTS BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2014-06-05 US disclosed
US-8674115-B2 CRTH2 modulators IRONWOOD PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
US-8674115-B2 CRTH2 modulators IRONWOOD PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
US-8614345-B2 Hydrogenation of esters or carbonyl groups with tetradentate amino/imino-thioether based ruthenium complexes FIRMENICH SA (CH) 2013-12-24 US disclosed
EP-1304924-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS Bayer Aktiengesellschaft (DE) 2003-05-02 EP disclosed
WO-2002005646-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS S.C. JOHNSON & SON, INC. (US) (US) 2002-01-24 WO disclosed
US-5434264-A α,α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-18 US disclosed
JP-H0710829-A PRODUCTION OF PHENYLTHIOBENZALDEHYDE AND THIOXANTHONE SUMITOMO SEIKA CHEM CO LTD 1995-01-13 JP disclosed
US-5300642-A α, α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-04-05 US disclosed
EP-0311010-B1 Alpha,Alpha-disubstituted aromatics and heteroaromatics as cognition enhancers DU PONT MERCK PHARMA (US) 1994-02-02 EP disclosed
EP-0532054-A1 Process for preparing alpha,alpha-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-17 EP disclosed
US-5173489-A α,α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DUPONT MERCK PHARMACEUTICAL CO. (US) 1992-12-22 US disclosed
EP-0311010-A2 Alpha,Alpha-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1989-04-12 EP disclosed
US-3956395-A Distyrylbenzene disulfone derivatives MEYER HANS RUDOLF 1976-05-11 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-20140155511-A1 SULFUR CHELATED RUTHENIUM COMPOUNDS USEFUL AS OLEFIN METATHESIS CATALYSTS C1S, SCO2, AP1S1 KMT2A 3469/4885LMNA 4771/4885TDP1 4270/4885

“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.