SCHEMBL1547536

SCHEMBL1547536

[CH2]COc1cccc(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.60
RAB9A P51151 2/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SOD1 P00441 1/20 0.49
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
MAOA P21397 1/20 0.44

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
SCHEMBL5263425 0.83 MAOB (0.61) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL13883739 0.82 MAOB (0.64) MAOBRAB9AHTTL3MBTL1SOD1
SCHEMBL8919860 0.82 MAOB (0.59) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL7162438 0.80 MAOB (0.62) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL7469882 0.79 MAOB (0.56) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL14303721 0.78 MAOB (0.60) MAOBRAB9AHTTL3MBTL1SOD1
SCHEMBL542315 0.78 MAOB (0.60) MAOBRAB9AHTTL3MBTL1SOD1
SCHEMBL2801030 0.78 MAOB (0.60) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL1203917 0.78 MAOB (0.60) MAOBRAB9AHTTL3MBTL1SOD1
SCHEMBL2431860 0.78 MAOB (0.60) MAOBRAB9AHTTL3MBTL1SOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114728936-A Bifunctional compounds for the treatment of cancer 豪夫迈·罗氏有限公司 2022-07-08 CN disclosed
EP-2311816-A1 Isoxazoline Compounds and their Use in Pest Control Sumitomo Chemical Company, Limited (JP) 2011-04-20 EP disclosed
EP-2311817-A1 Isoxazoline Compounds and their Use in Pest Control Sumitomo Chemical Company, Limited (JP) 2011-04-20 EP disclosed
EP-2308858-A1 Isoxazoline Compounds and their Use in Pest Control Sumitomo Chemical Company, Limited (JP) 2011-04-13 EP disclosed
US-20100137372-A1 ISOXAZOLINE COMPOUNDS AND THEIR USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US disclosed
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 US disclosed
EP-2139874-A2 ISOXAZOLINE COMPOUNDS AND THEIR USE IN PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2010-01-06 EP disclosed
EP-2061789-A2 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2009-05-27 EP disclosed
WO-2008126665-A2 ISOXAZOLINE COMPOUNDS AND THEIR USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-23 WO disclosed
WO-2008032858-A2 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-20 WO disclosed
EP-0389162-B1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES (JP) 1993-12-08 EP disclosed
US-5266577-A Method of treating congestive heart failure using carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY LTD. (JP) 1993-11-30 US disclosed
US-5198448-A Cardiovascular disorders OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1993-03-30 US disclosed
US-5086071-A Improved chemical stability and ppotent in vivo TORAY INDUSTRIES, INC. (JP) 1992-02-04 US disclosed
US-5053514-A Side effect reduction; carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-10-01 US disclosed
EP-0232776-B1 2,5,6,7-TETRANOR-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1990-10-24 EP disclosed
EP-0389162-A1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1990-09-26 EP disclosed
EP-0365678-A1 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1990-05-02 EP disclosed
US-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 US disclosed
EP-0232776-A2 2,5,6,7-tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1987-08-19 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 (2 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-20100137372-A1 ISOXAZOLINE COMPOUNDS AND THEIR USE IN PEST CONTROL CYP4X1, PRDX5, PRDX1 MAOB 508/4885RAB9A 924/4885HTT 3320/4885
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF NR2C2, NR4A3, NR0B2 MAOB 1907/4885RAB9A 3350/4885HTT 3261/4885

“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.