SCHEMBL2092272

SCHEMBL2092272

Fc1ccccc1CC1CCCC[N]1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
HTR2A P28223 2/20 0.36
DRD2 P14416 1/20 0.36
HRH1 P35367 1/20 0.36
PKM P14618 2/20 0.35
LMNA P02545 1/20 0.35
IDO1 P14902 2/20 0.34
MAPT P10636 1/20 0.34
EED O75530 1/20 0.34
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL2254428 0.95 DRD2 (0.39) KMT2AMEN1ALDH1A1ATMTAAR1
SCHEMBL2097546 0.80 IDO1 (0.40) KMT2AMEN1ALDH1A1HTR2AIDO1
SCHEMBL2202290 0.80 TAAR1 (0.48) KMT2AMEN1ALDH1A1ATMTAAR1
SCHEMBL2718400 0.80 ALDH1A1 (0.40) ALDH1A1TAAR1IDO1NPC1
SCHEMBL3161032 0.76 KMT2A (0.46) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL42737 0.75 NOS3 (0.53) TAAR1MAPTNPC1
SCHEMBL3909946 0.75 KMT2A (0.40) KMT2AMEN1TAAR1
SCHEMBL11669399 0.74 NOS3 (0.51) TAAR1MAPTNPC1
SCHEMBL11669280 0.74 NOS3 (0.51) TAAR1MAPTNPC1
SCHEMBL3169716 0.72 TRPA1 (0.44) ALDH1A1LMNA

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 KMT2A 3324/4885MEN1 4525/4885ALDH1A1 412/4885

“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.