SCHEMBL1045733

SCHEMBL1045733

[CH2]CCCCOc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 1/20 0.53
HRH3 Q9Y5N1 9/20 0.50
DRD4 P21917 4/20 0.50
DRD2 P14416 3/20 0.50
DRD3 P35462 3/20 0.50
KCNH2 Q12809 2/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL8778546 0.98 HRH3 (0.53) ALDH3A1HRH3DRD4DRD2DRD3
SCHEMBL8778507 0.98 HRH3 (0.53) ALDH3A1HRH3DRD4DRD2DRD3
SCHEMBL8778548 0.98 HRH3 (0.53) ALDH3A1HRH3DRD4DRD2DRD3
SCHEMBL1043999 0.98 HRH3 (0.53) ALDH3A1HRH3DRD4DRD2DRD3
SCHEMBL8778528 0.98 HRH3 (0.53) ALDH3A1HRH3DRD4DRD2DRD3
SCHEMBL1077698 0.93 DRD4 (0.52) ALDH3A1HRH3DRD4DRD2DRD3
SCHEMBL9770302 0.89 ALDH3A1 (0.62) ALDH3A1HRH3DRD4DRD2DRD3
SCHEMBL712373 0.86 DRD4 (0.48) ALDH3A1HRH3DRD4DRD2DRD3
SCHEMBL30514014 0.86 HRH3 (0.61) ALDH3A1HRH3DRD4DRD2DRD3
SCHEMBL11815991 0.86 HRH3 (0.61) ALDH3A1HRH3DRD4DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 US disclosed
US-8987304-B2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 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-2269694-A2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-01-05 EP disclosed
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
EP-1931425-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-06-18 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-0498188-B1 Oximethers and fungicides containing them BASF AG (DE) 1996-03-27 EP disclosed
EP-0679636-A1 Oximethers and fungicides containing them BASF Aktiengesellschaft (DE) 1995-11-02 EP disclosed
EP-0678505-A1 Oximethers and fungicides containing them BASF AKTIENGESELLSCHAFT (DE) 1995-10-25 EP disclosed
US-5446067-A For treatment of crops, seeds, soils BASF AKTIENGESELLSCHAFT (DE) 1995-08-29 US disclosed
EP-0498188-A2 Oximethers and fungicides containing them BASF Aktiengesellschaft (DE) 1992-08-12 EP disclosed
US-5041618-A α-arylacrylates and fungicides containing these compounds BASF AKTIENGESELLSCHAFT (DE) 1991-08-20 US disclosed
EP-0348766-B1 ALPHA-ARYLACRYLIC-ACID ESTERS AND FUNGICIDES CONTAINING SAME BASF Aktiengesellschaft (DE) 1991-04-17 EP disclosed
US-4942143-A Imidazothiadiazine derivatives, and their use as medicaments HOECHST JAPAN LIMITED (JP) 1990-07-17 US disclosed
EP-0348766-A2 Alpha-arylacrylic-acid esters and fungicides containing same BASF Aktiengesellschaft (DE) 1990-01-03 EP disclosed
EP-0286041-A1 Imidazothiadiazine derivatives, a process for preparing the same and their use as medicaments HOECHST JAPAN LIMITED (JP) 1988-10-12 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 (3 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-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH3A1 1083/4885HRH3 866/4885DRD4 888/4885
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH3A1 1083/4885HRH3 866/4885DRD4 888/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 ALDH3A1 215/4885HRH3 538/4885DRD4 444/4885

“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.