SCHEMBL2089356

SCHEMBL2089356

CN(C=O)c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
NFE2L2 Q16236 3/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
HPGD P15428 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
THPO P40225 1/20 0.35
CHRM5 P08912 1/20 0.35
GRM5 P41594 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35

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
SCHEMBL2095873 0.79 ERN1 (0.34) CES2CES1
SCHEMBL28645302 0.78 ABCG2 (0.36) ACHENPC1RAB9AKMT2ATAAR1
SCHEMBL2095103 0.78 HSD17B1 (0.46) ACHENPC1RAB9AKMT2AHPGD
SCHEMBL3835181 0.76 KMT2A (0.55) ACHENPC1RAB9AKMT2ATAAR1
SCHEMBL2088529 0.76 HTR3E (0.49) NPC1RAB9AKMT2ATAAR1HPGD
SCHEMBL7370235 0.76 CYP3A4 (0.42) CYP3A4
SCHEMBL27336149 0.76 NFE2L2 (0.39) ACHENPC1RAB9AKMT2ATAAR1
SCHEMBL2891832 0.76 ALDH1A1 (0.61) ACHECYP1A2CYP3A4
SCHEMBL3926709 0.76 ALDH1A1 (0.45) KMT2ATAAR1MAPK1
SCHEMBL2096476 0.76 APP (0.43) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106459030-B Replace tropane derivatives 东亚荣养株式会社 2019-01-29 CN claimed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN 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-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
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
EP-0145401-B1 PHOTOCONDUCTIVE DEVICE CONTAINING NOVEL BENZYL FLUORINATED SQUARAINE COMPOUNDS XEROX CORPORATION (US) 1987-12-09 EP disclosed
US-4644082-A Photoconductive devices containing novel benzyl fluorinated squaraine compositions XEROX CORPORATION (US) 1987-02-17 US disclosed
EP-0145401-A2 Photoconductive device containing novel benzyl fluorinated squaraine compounds XEROX CORPORATION (US) 1985-06-19 EP disclosed
US-4508803-A Photoconductive devices containing novel benzyl fluorinated squaraine compositions XEROX CORPORATION (US) 1985-04-02 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 (2 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 ACHE 4670/4885NPC1 2404/4885RAB9A 2824/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 ACHE 4734/4885NPC1 3130/4885RAB9A 3153/4885

“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.