SCHEMBL2056136

SCHEMBL2056136

CN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 1.00
TSHR P16473 1/20 0.77
NPC1 O15118 2/20 0.56
TP53 P04637 2/20 0.56
RAB9A P51151 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 2/20 0.56
LSS P48449 1/20 0.55
CHKA P35790 3/20 0.55
HPGD P15428 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.54
MC4R P32245 1/20 0.54
HRH3 Q9Y5N1 2/20 0.54
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
BACE1 P56817 1/20 0.53

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
SCHEMBL2056182 0.94 ALDH1A1 (0.89) ALDH1A1TSHRNPC1TP53RAB9A
SCHEMBL4626311 0.86 ALDH1A1 (0.75) ALDH1A1TSHRMEN1KMT2AATM
SCHEMBL14997913 0.84 ALDH1A1 (0.73) ALDH1A1TSHRLMNALSSSLC6A4
SCHEMBL24478089 0.83 ALDH1A1 (0.71) ALDH1A1TSHRKDM4ELMNAHRH3
SCHEMBL27630234 0.82 ALDH1A1 (0.69) ALDH1A1TSHRLMNALSSSLC6A4
SCHEMBL15591085 0.81 ALDH1A1 (0.68) ALDH1A1TSHRLMNALSSHRH3
SCHEMBL22516896 0.81 ALDH1A1 (0.68) ALDH1A1TSHRLMNALSSMEN1
SCHEMBL4217013 0.81 ALDH1A1 (0.68) ALDH1A1TSHRLMNALSSMEN1
SCHEMBL2089924 0.81 ALDH1A1 (0.68) ALDH1A1TSHRLMNALSSSLC6A4
SCHEMBL28510599 0.80 ALDH1A1 (0.67) ALDH1A1TSHRLMNALSSBCHE

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-8563547-B2 (6,7-dihydro-2-nitro-5H-imidazol[2,1-b][1,3]oxazin-6-yl) amide compounds, preparation methods and uses thereof SHANGHAI SUN-SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LTD. (CN) 2013-10-22 US disclosed
US-20130143864-A1 (6,7-DIHYDRO-2-NITRO-5H-IMIDAZOL[2,1-B][1,3]OXAZIN-6YL) AMIDE COMPOUNDS, PREPARATION METHODS AND USES THEREOF NANJING CHANGAO PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LTD. (CN) 2013-06-06 US disclosed
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
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
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

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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 ALDH1A1 412/4885TSHR 162/4885NPC1 3130/4885
US-20130143864-A1 (6,7-DIHYDRO-2-NITRO-5H-IMIDAZOL[2,1-B][1,3]OXAZIN-6YL) AMIDE COMPOUNDS, PREPARATION METHODS AND USES THEREOF MT-ND6, SLC11A2, NDUFB7 ALDH1A1 238/4885TSHR 2931/4885NPC1 405/4885

“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.