SCHEMBL99103

SCHEMBL99103

O=[C]/C=C/C=C/c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.64
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
MAPK1 P28482 2/20 0.54
TRPA1 O75762 1/20 0.54
ALOX5 P09917 1/20 0.54
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
MCL1 Q07820 1/20 0.44
CMA1 P23946 1/20 0.44
GLA P06280 1/20 0.43

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
SCHEMBL7886123 1.00 MAOB (0.64) MAOBALDH1A1LMNAMAPK1TRPA1
SCHEMBL96588 1.00 MAOB (0.64) MAOBALDH1A1LMNAMAPK1TRPA1
SCHEMBL1485980 1.00 MAOB (0.64) MAOBALDH1A1LMNAMAPK1TRPA1
SCHEMBL1485979 1.00 MAOB (0.64) MAOBALDH1A1LMNAMAPK1TRPA1
SCHEMBL97273 0.98 MAOB (0.61) MAOBALDH1A1LMNAMAPK1TRPA1
SCHEMBL97272 0.98 MAOB (0.61) MAOBALDH1A1LMNAMAPK1TRPA1
SCHEMBL6834934 0.83 MAOB (0.50) MAOBALDH1A1LMNAMAPK1TRPA1
SCHEMBL27745 0.83 MAOB (0.50) MAOBALDH1A1LMNAMAPK1TRPA1
SCHEMBL27746 0.83 MAOB (0.50) MAOBALDH1A1LMNAMAPK1TRPA1
SCHEMBL23458007 0.80 MAOB (1.00) MAOBALDH1A1LMNAMAPK1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-8097582-B2 Peptide derivatives useful as antimicrobial agents and for treating wounds NEOBIOTICS AB (SE) 2012-01-17 US disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-20100247648-A1 ANTIMICROBIAL COMPOUNDS NEOBIOTICS AB (SE) 2010-09-30 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
US-20060116327-A1 Dipeptide derivatives with active agents to formulate one composition to reduce, eliminate more than one microorganism; effect against a broad spectrum of microorganisms; mechanism of action on pathogen may be on a basic level; low probability for developing resistance NEOBIOTICS AB (SE) 2006-06-01 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1646371-A2 ANTIVIRAL COMPOUNDS AND METHODS Biotron Limited (AU) 2006-04-19 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
WO-2004112687-A2 ANTIVIRAL ACYLGUANIDINE COMPOUNDS AND METHODS BIOTRON LIMITED (AU) 2004-12-29 WO disclosed
US-4194987-A N-ACYL-CYANO-DIHYDRO(ISO)QUINOLINES AS ACTIVATORS FMC CORPORATION (US) 1980-03-25 US disclosed
US-4181807-A Polymerizable esters derived from a glycidyl ether of a phenolic unsaturated ketone CIBA-GEIGY CORPORATION (US) 1980-01-01 US disclosed
US-4179577-A Polymerisable esters derived from a phenolic unsaturated ketone CIBA-GEIGY CORPORATION (US) 1979-12-18 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-20060116327-A1 Dipeptide derivatives with active agents to formulate one composition to reduce, eliminate more than one microorganism; effect against a broad spectrum of microorganisms; mechanism of action on pathogen may be on a basic level; low probability for developing resistance ARG1, ARGLU1, VIP MAOB 4030/4885ALDH1A1 4362/4885LMNA 4296/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 MAOB 2140/4885ALDH1A1 355/4885LMNA 4152/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 MAOB 4538/4885ALDH1A1 2458/4885LMNA 4860/4885
US-20100247648-A1 ANTIMICROBIAL COMPOUNDS ARG1, C1R, ARG2 MAOB 3413/4885ALDH1A1 4240/4885LMNA 3340/4885

“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.