SCHEMBL2095348

SCHEMBL2095348

[CH2]c1ccc(OC(F)(F)F)c(-c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.41
SCN9A Q15858 6/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
METAP2 P50579 1/20 0.38
TRPA1 O75762 1/20 0.38
BACE1 P56817 1/20 0.37
NTRK1 P04629 1/20 0.36
SYK P43405 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL12017817 0.81 PTGDR2 (0.54) CASRSCN9APTGDR2KDM4EMAPT
SCHEMBL28628830 0.81 METAP2 (0.49) CASRSCN9AFFAR4METAP2
SCHEMBL2095253 0.79 FFAR4 (0.50) SCN9AKDM4EMAPTL3MBTL1FFAR4
SCHEMBL5545741 0.78 SCN9A (0.56) SCN9AKDM4EMAPTL3MBTL1TRPA1
SCHEMBL306822 0.77 FFAR4 (0.55) SCN9AKDM4EMAPTL3MBTL1FFAR4
SCHEMBL29788132 0.77 FFAR4 (0.55) SCN9AKDM4EMAPTL3MBTL1FFAR4
SCHEMBL11608972 0.77 MAOA (0.49) CASRKDM4EMAPTL3MBTL1
SCHEMBL12015784 0.76 CASR (0.50) CASRSCN9AMETAP2BACE1
SCHEMBL21942059 0.76 SYK (0.56) PTGDR2FFAR4BACE1NTRK1SYK
SCHEMBL20546591 0.76 SCN9A (0.43) CASRSCN9APTGDR2KDM4EMAPT

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 5 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

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 CASR 826/4885SCN9A 3557/4885PTGDR2 356/4885

“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.