SCHEMBL383829

SCHEMBL383829

O=C1NC(=O)c2cc(Br)ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.63
MAOB P27338 7/20 0.63
S100A4 P26447 1/20 0.56
PPOX P50336 1/20 0.56
TGM2 P21980 1/20 0.55
CES1 P23141 1/20 0.55
TDP2 O95551 1/20 0.55
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
GSK3B P49841 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48
CYP3A4 P08684 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PTPRC P08575 1/20 0.48
BCL2 P10415 1/20 0.47
MCL1 Q07820 1/20 0.47
PARP10 Q53GL7 2/20 0.46

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
Lithium SCHEMBL11426699 0.98 MAOA (0.61) MAOAMAOBS100A4PPOXTGM2
SCHEMBL11422269 0.98 MAOA (0.61) MAOAMAOBS100A4PPOXTGM2
Potassium SCHEMBL31268252 0.98 MAOA (0.61) MAOAMAOBS100A4PPOXTGM2
Potassium SCHEMBL11435320 0.98 MAOA (0.61) MAOAMAOBS100A4PPOXTGM2
SCHEMBL11435308 0.98 MAOA (0.61) MAOAMAOBS100A4PPOXTGM2
SCHEMBL11422278 0.98 MAOA (0.61) MAOAMAOBS100A4PPOXTGM2
SCHEMBL11426691 0.98 MAOA (0.61) MAOAMAOBS100A4PPOXTGM2
SCHEMBL25319107 0.83 TDP2 (0.49) MAOAMAOBS100A4PPOXTGM2
SCHEMBL24665688 0.82 TGM2 (0.68) MAOAMAOBS100A4TGM2CES1
Hydrochloric Acid SCHEMBL2098566 0.81 TDP2 (0.47) MAOAMAOBS100A4PPOXTGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118496072-A Method for preparing 2-butanone by biomimetic catalytic oxidation of n-butane 浙江工业大学 2024-08-16 CN claimed
CN-118146084-A Method for preparing benzoic acid and coproducing epsilon-caprolactone by biomimetically catalyzing air to oxidize toluene and cyclohexanone 广西大学 2024-06-07 CN claimed
CN-108117645-B Method for preparing polyaryl imide and production device thereof 北京鼎益新材科技有限公司 2020-08-14 CN claimed
US-7112586-B2 Substituted diamine derivatives useful as motilin antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-09-26 US claimed
US-6967199-B2 Substituted diamine derivatives useful as motilin antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-11-22 US claimed
US-20050148584-A1 Novel substituted diamine derivatives useful as motilin antagonists JOHNSON SIGMOND G (US) 2005-07-07 US claimed
US-20030203906-A1 A phenylamide derivatives for treating gastrointestinal reflux disorders, eating disorder obesity and irritable bowel disorder JOHNSON SIGMONG G (US) 2003-10-30 US claimed
EP-1294695-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-03-26 EP claimed
US-20020013352-A1 For therapy of gastrointestinal reflux disorders, eating disorders leading to obesity and irritable bowel disorder ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-31 US claimed
WO-2001085694-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-15 WO claimed
US-4256507-A FLAVANTHRONE, PYRANTHRONE, INDANTHRONE, INDIGO, QUINACRIDONE, PERYLENE DIANHYDRIDE OR DIIMIDE PIGMENTS SUBSTITUTED WITH PHTHALIMIDO-METHYL GROUPS BASF AKTIENGESELLSCHAFT (DE) 1981-03-17 US claimed
EP-0014458-A1 Pigment preparations for lacquers and printing dyes BASF Aktiengesellschaft (DE) 1980-08-20 EP claimed
US-4181530-A ELECTRON ATTRACTING PHTHALIMIDE FUJI PHOTO FILM CO., LTD. (JP) 1980-01-01 US claimed
WO-2026098560-A2 BENZENE-CONTAINING POLYCYCLIC DERIVATIVE MODULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2026-05-15 WO disclosed
US-20260125378-A2 Heterocyclic Compounds BEONE MEDICINES I GMBH (CH) 2026-05-07 US disclosed
CN-121824360-A Preparation method of 4-sulfophthalonitrile 沈阳化工研究院有限公司 2026-04-10 CN disclosed
US-4181530-A ELECTRON ATTRACTING PHTHALIMIDE FUJI PHOTO FILM CO., LTD. (JP) 1980-01-01 US disclosed
US-4144072-A CONTAINING A PHTHALAZINONE AND A PHTHALIMIDE FUJI PHOTO FILM CO., LTD. (JP) 1979-03-13 US disclosed
US-4140532-A ORGANIC SILVER SALT, CATALYST, REDUCING AGENT, 2H-1,3-BENZOTHIAZIN-2,4(3H-)DIONE FUJI PHOTO FILM CO., LTD. (JP) 1979-02-20 US disclosed
US-4065471-A N-(4-Amino-2-butynyl)imides STERLING DRUG INC. (US) 1977-12-27 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 (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-20260125378-A2 Heterocyclic Compounds NFATC1, CD4, MALT1 MAOA 2893/4885MAOB 2174/4885S100A4 1967/4885
US-20020013352-A1 For therapy of gastrointestinal reflux disorders, eating disorders leading to obesity and irritable bowel disorder MLNR, GIPR, NPY1R MAOA 526/4885MAOB 383/4885S100A4 3793/4885
US-20030203906-A1 A phenylamide derivatives for treating gastrointestinal reflux disorders, eating disorder obesity and irritable bowel disorder MLNR, GIPR, NPY1R MAOA 434/4885MAOB 508/4885S100A4 4196/4885
US-20050148584-A1 Novel substituted diamine derivatives useful as motilin antagonists MLNR, NPY4R, GIPR MAOA 520/4885MAOB 456/4885S100A4 2846/4885

“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.