SCHEMBL1806289

SCHEMBL1806289

CCC(C)Oc1ccc([O])cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.43
MAPT P10636 1/20 0.42
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
ALDH1A3 P47895 1/20 0.36
POLB P06746 1/20 0.36
LTA4H P09960 1/20 0.36
KMT2A Q03164 1/20 0.35
PTGDR Q13258 1/20 0.34
PARP10 Q53GL7 1/20 0.34

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
SCHEMBL122883 0.89 ACACB (0.45) ACACBMAPTMTNR1AMTNR1BHDAC1
SCHEMBL12521736 0.82 ALDH1A3 (0.48) ACACBMAPTALDH1A3POLBKMT2A
SCHEMBL13064360 0.80 ACHE (0.42) ACACBMAPTMTNR1AMTNR1BKMT2A
SCHEMBL9888683 0.80 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL8263616 0.80 ACHE (0.42) ACACBMAPTMTNR1AMTNR1BKMT2A
SCHEMBL25513374 0.80 ACHE (0.42) ACACBMAPTMTNR1AMTNR1BKMT2A
SCHEMBL18754954 0.80 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL27645172 0.79 ACACB (0.41) ACACBMAPTMTNR1AMTNR1BHDAC1
SCHEMBL9265587 0.78 ACACB (0.43) ACACBMAPTMTNR1AMTNR1BHDAC1
SCHEMBL12874848 0.78 KMT2A (0.42) ACACBMAPTKMT2A

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 16 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
US-4610804-A Anthraquinone dyes and liquid crystal compositions including the same HITACHI, LTD. (JP) 1986-09-09 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 (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 ACACB 1653/4885MAPT 4117/4885MTNR1A 1560/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 ACACB 881/4885MAPT 4299/4885MTNR1A 802/4885
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 ACACB 4517/4885MAPT 2252/4885MTNR1A 187/4885

“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.