SCHEMBL3411276

SCHEMBL3411276

Brc1ccc(Sc2ccc(Sc3ccc(Br)cc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.64
MAOB P27338 3/20 0.64
CYP2A6 P11509 1/20 0.57
HAO1 Q9UJM8 1/20 0.48
MAPK1 P28482 3/20 0.47
TSHR P16473 2/20 0.47
NR1H2 P55055 1/20 0.47
CYP3A4 P08684 1/20 0.47
MCL1 Q07820 2/20 0.47
BCL2 P10415 1/20 0.47
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4123832 1.00 MAOA (0.64) MAOAMAOBCYP2A6HAO1MAPK1
SCHEMBL8588228 0.91 MAOA (0.56) MAOAMAOBCYP2A6HAO1MAPK1
SCHEMBL10899441 0.91 MAOA (0.56) MAOAMAOBCYP2A6HAO1MAPK1
SCHEMBL2414029 0.88 MAOA (0.54) MAOAMAOBCYP2A6HAO1MAPK1
SCHEMBL9475276 0.86 MAOA (0.55) MAOAMAOBCYP2A6HAO1MAPK1
SCHEMBL9418077 0.86 MAPK1 (0.74) MAOAMAOBCYP2A6HAO1MAPK1
SCHEMBL8142821 0.86 MAOA (0.52) MAOAMAOBCYP2A6HAO1MCL1
SCHEMBL8142840 0.86 MAOA (0.52) MAOAMAOBCYP2A6HAO1MAPK1
SCHEMBL4979446 0.86 MAPK1 (0.74) MAOAMAOBCYP2A6HAO1MAPK1
SCHEMBL7938361 0.86 NR1H2 (0.74) MAOAMAOBCYP2A6HAO1NR1H2

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
EP-2116562-B1 METHOD FOR PRODUCING CYCLIC POLYARYLENE SULFIDE TORAY INDUSTRIES (JP) 2018-09-26 EP disclosed
US-9604941-B2 Preparation method of conjugated compound containing bis(phenylsulfonyl)benzene structure and an organic electroluminescent diode device using the conjugated compound SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2017-03-28 US disclosed
US-9604941-B2 Preparation method of conjugated compound containing bis(phenylsulfonyl)benzene structure and an organic electroluminescent diode device using the conjugated compound SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2017-03-28 US disclosed
EP-2757124-B1 METHOD FOR PRODUCING CYCLIC POLYARYLENE SULFIDE TORAY INDUSTRIES (JP) 2016-11-30 EP disclosed
US-20160322567-A1 CONJUGATED COMPOUND CONTAINING BIS(PHENYLSULFONYL)BENZENE STRUCTURE, PREPARATION METHOD AND APPLICATION THEREOF SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2016-11-03 US disclosed
US-20160322567-A1 CONJUGATED COMPOUND CONTAINING BIS(PHENYLSULFONYL)BENZENE STRUCTURE, PREPARATION METHOD AND APPLICATION THEREOF SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2016-11-03 US disclosed
US-9150695-B2 Production method of cyclic polyarylene sulfide TORAY INDUSTRIES, INC. (JP) 2015-10-06 US disclosed
US-20140256907-A1 PRODUCTION METHOD OF CYCLIC POLYARYLENE SULFIDE TORAY INDUSTRIES, INC. (JP) 2014-09-11 US disclosed
EP-2757124-A1 METHOD FOR PRODUCING CYCLIC POLYARYLENE SULFIDE Toray Industries, Inc. (JP) 2014-07-23 EP disclosed
US-8329832-B2 Process for producing cyclic polyarylene sulfide TORAY INDUSTRIES, INC. (JP) 2012-12-11 US disclosed
US-20100137531-A1 PROCESS FOR PRODUCING CYCLIC POLYARYLENE SULFIDE TORAY INDUSTRIES INC. (JP) 2010-06-03 US disclosed
EP-2116562-A1 METHOD FOR PRODUCING CYCLIC POLYARYLENE SULFIDE Toray Industries, Inc. (JP) 2009-11-11 EP disclosed
US-5876891-A POLYIMIDE FROM AN AROMATIC POLYCHALCOGEN DIAMINE SUCH AS POLYPHENYLENE THIOETHER DIAMINE AND AN AROMATIC DIANHYDRIDE, PHTHALOCYANINE OR PERYLENE PIGMENTS MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1999-03-02 US disclosed
US-5654367-A ALTERNATING POLYIMIDE OR POLYAMIDEIMIDE COPOLYMER USEFUL AS PHOTOSENSITIVE MATERIAL IN SPATIAL LIGHT MODULATOR MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1997-08-05 US disclosed
US-5597889-A POLYIMIDES MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1997-01-28 US disclosed
US-5486442-A Organic polymer and preparation and use in crystal spatial light modulator MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1996-01-23 US disclosed
EP-0449117-A2 Organic polymer and preparation and use thereof MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1991-10-02 EP disclosed
EP-0162606-B1 AROMATIC POLYTHIOETHERAMIDES AND PROCESS FOR THEIR PRODUCTION MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1989-01-25 EP disclosed
US-4621134-A Aromatic polythioetheramide MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1986-11-04 US disclosed
EP-0162606-A1 Aromatic polythioetheramides and process for their production MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1985-11-27 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 (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-20160322567-A1 CONJUGATED COMPOUND CONTAINING BIS(PHENYLSULFONYL)BENZENE STRUCTURE, PREPARATION METHOD AND APPLICATION THEREOF AOC1, DDT, KCNJ1 MAOA 292/4885MAOB 39/4885CYP2A6 405/4885

“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.