SCHEMBL2089975

SCHEMBL2089975

NCc1cc(OC(F)(F)F)cc(OC(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.36
LOX P28300 1/20 0.36
MAOB P27338 3/20 0.36
AOC3 Q16853 1/20 0.36
GPR3 P46089 1/20 0.35
GRIN2B Q13224 3/20 0.35
KIF11 P52732 2/20 0.35
CETP P11597 1/20 0.35
PIM1 P11309 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
PRMT6 Q96LA8 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
SCHEMBL24051598 0.90 GRIN2B (0.42) MAOBGRIN2B
SCHEMBL16234319 0.88 FFAR4 (0.39) HTR2CLOXL2MAOBGPR3CETP
SCHEMBL24051776 0.87 MAPT (0.55) HTR2CST14LOXL2LOXMAOB
SCHEMBL24051492 0.87 L3MBTL1 (0.41) HTR2CMAOBAOC3CHRM2CHRM1
SCHEMBL4550729 0.86 GRIN2B (0.46) HTR2CMAOBAOC3GPR3GRIN2B
SCHEMBL22089768 0.86 IDO1 (0.38) HTR2CMAOBAOC3GPR3GRIN2B
SCHEMBL8254280 0.86 GRIN2B (0.47) HTR2CMAOBAOC3GRIN2B
SCHEMBL22090010 0.86 GRIN2B (0.41) HTR2CST14GRIN2BCETPPRMT6
Hydrochloric Acid SCHEMBL18741162 0.85 GRIN2B (0.46) HTR2CMAOBAOC3GRIN2B
SCHEMBL22102110 0.83 EPHX2 (0.38) HTR2CMAOBGRIN2BKIF11CHRM2

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 10 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
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
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
EP-1351962-B1 THIENOPYRIMIDINE MERCK PATENT GMBH (DE) 2005-03-16 EP disclosed
US-6780867-B2 THEY EXHIBIT SPECIFIC INHIBITION OF CGMP PHOSPHODIESTERASE (PDE V) MERCK PATENT GMBH (DE) 2004-08-24 US disclosed
EP-1351962-A2 THIENOPYRIMIDINE MERCK PATENT GmbH (DE) 2003-10-15 EP disclosed
US-20030187260-A1 Thienopyrimidines MERCK PATENT GMBH (DE) 2003-10-02 US disclosed
WO-2002018389-A2 THIENOPYRIMIDINE MERCK PATENT GMBH (DE) 2002-03-07 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 (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-20030187260-A1 Thienopyrimidines TYMP, DPYD, IMPDH1 HTR2C 1074/4885ST14 4367/4885LOXL2 4179/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 HTR2C 2157/4885ST14 4406/4885LOXL2 3512/4885

“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.