SCHEMBL2095080

SCHEMBL2095080

NCc1ccccc1C(F)(F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
PNMT P11086 3/20 0.41
MAOB P27338 3/20 0.40
DPP4 P27487 3/20 0.39
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.32

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
SCHEMBL7539869 0.83 IDO1 (0.42) IDO1PNMTMAOBDPP4ALDH1A1
SCHEMBL43013 0.82 IDO1 (0.61) IDO1PNMTMAOBDPP4ALDH1A1
SCHEMBL11621493 0.82 TAAR1 (0.41) IDO1PNMTMAOBDPP4ALDH1A1
Methane SCHEMBL27580279 0.80 IDO1 (0.59) IDO1PNMTMAOBDPP4ALDH1A1
Hydrochloric Acid SCHEMBL6169962 0.80 IDO1 (0.62) IDO1PNMTMAOBDPP4ALDH1A1
SCHEMBL6319928 0.79 IDO1 (0.40) IDO1PNMTMAOBDPP4ALDH1A1
SCHEMBL11624958 0.79 DPP4 (0.37) IDO1PNMTMAOBDPP4ALDH1A1
Ethane SCHEMBL27580262 0.78 IDO1 (0.57) IDO1PNMTMAOBALDH1A1POLB
SCHEMBL26748088 0.78 IDO1 (0.42) IDO1PNMTMAOBDPP4ALDH1A1
SCHEMBL2095076 0.78 IDO1 (0.41) IDO1MAOBALDH1A1POLBTDP1

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
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

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 IDO1 2665/4885PNMT 3431/4885MAOB 1654/4885

“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.