SCHEMBL2091945

SCHEMBL2091945

[CH2]CCc1cc(Cl)ccn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CCR1 P32246 1/20 0.38
PDE8A O60658 1/20 0.37
NR4A2 P43354 2/20 0.36
SOS2 Q07890 1/20 0.36
FERMT2 Q96AC1 3/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
PKM P14618 2/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SREBF2 Q12772 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
SCHEMBL17103357 0.83
SCHEMBL31628801 0.79 CYP1A2 (0.40) CYP1A2CCR1PDE8ANR4A2SOS2
SCHEMBL1507007 0.79 KDM4E (0.53) CYP1A2ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL7418086 0.79 PDE8A (0.43) CYP1A2CCR1PDE8ANR4A2SOS2
SCHEMBL11378229 0.79 HRH1 (0.50) CYP1A2CCR1PDE8ANR4A2SOS2
Hydrochloric Acid SCHEMBL14157230 0.78 HRH1 (0.48) CYP1A2CCR1PDE8ANR4A2SOS2
SCHEMBL11274198 0.76 FERMT2 (0.49) CYP1A2CCR1PDE8ANR4A2SOS2
SCHEMBL27759762 0.76 CCR1 (0.42) CYP1A2CCR1FERMT2ALDH1A1MAPT
SCHEMBL29774155 0.76
SCHEMBL509733 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN 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
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 CYP1A2 420/4885CCR1 890/4885PDE8A 4727/4885

“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.