SCHEMBL1807403

SCHEMBL1807403

CCC(C)Oc1cccc([O])c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MTNR1A P48039 10/20 0.43
MTNR1B P49286 10/20 0.43
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.39
GRM2 Q14416 1/20 0.39
ACACB O00763 2/20 0.37
MCHR1 Q99705 1/20 0.36

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
SCHEMBL9987172 1.00 GPBAR1 (0.46) GPBAR1CYSLTR1GAAHSD17B10MTNR1A
SCHEMBL11665507 0.86 GPBAR1 (0.55) GPBAR1CYSLTR1GAAHSD17B10MTNR1A
SCHEMBL2092088 0.81 GPBAR1 (0.48) GPBAR1CYSLTR1GAAHSD17B10MTNR1A
SCHEMBL1808381 0.80 RXRA (0.50) GAAALDH1A1
SCHEMBL13790939 0.79 ACHE (0.50) GPBAR1CYSLTR1GAAHSD17B10ALDH1A1
SCHEMBL13791121 0.79 ACHE (0.50) GPBAR1CYSLTR1GAAHSD17B10ALDH1A1
SCHEMBL13791767 0.79 MTNR1A (0.59) GPBAR1CYSLTR1MTNR1AMTNR1BTSHR
SCHEMBL13791679 0.79 MTNR1A (0.59) GPBAR1CYSLTR1MTNR1AMTNR1BTSHR
SCHEMBL27666317 0.79 GAA (0.44) GPBAR1CYSLTR1GAAHSD17B10MTNR1A
SCHEMBL3173884 0.78 CYP3A4 (0.50) GPBAR1CYSLTR1GAAHSD17B10MTNR1A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 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
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 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
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
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
EP-0351615-B1 PROCESS FOR THE PREPARATION OF 4-ALKOXY-2-HYDROXYBENZOPHENONE-5-SULFONIC ACIDS BASF Aktiengesellschaft (DE) 1992-10-28 EP disclosed
US-5072034-A PREPARATION OF 4-ALKOXY-2-HYDROXYBENZOPHENONE-5-SULFONIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed
EP-0351615-A1 Process for the preparation of 4-alkoxy-2-hydroxybenzophenone-5-sulfonic acids BASF Aktiengesellschaft (DE) 1990-01-24 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 GPBAR1 826/4885CYSLTR1 2641/4885GAA 4165/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 GPBAR1 833/4885CYSLTR1 1145/4885GAA 3982/4885
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 GPBAR1 2870/4885CYSLTR1 2080/4885GAA 2451/4885

“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.