SCHEMBL2093909

SCHEMBL2093909

[CH2]Oc1ccccc1CC=C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ADRA2C P18825 5/20 0.46
HTR1A P08908 4/20 0.46
ADRA2A P08913 4/20 0.46
ADRA2B P18089 4/20 0.46
NISCH Q9Y2I1 1/20 0.46
ADRB2 P07550 3/20 0.45
ADRB1 P08588 3/20 0.45
LMNA P02545 2/20 0.45
KCNH2 Q12809 2/20 0.45
ADRB3 P13945 1/20 0.45
SLC6A2 P23975 1/20 0.45
BDKRB2 P30411 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
HTR2B P41595 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL3955458 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EADRA2CHTR1AADRA2A
SCHEMBL88415 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EADRA2CHTR1AADRA2A
SCHEMBL5854141 0.83 ADRA2C (0.48) ALDH1A1KDM4EADRA2CHTR1AADRA2A
Water SCHEMBL8939878 0.83 ALDH1A1 (0.49) ALDH1A1KDM4EADRA2CHTR1AADRA2A
SCHEMBL3730543 0.83 ALDH1A1 (0.49) ALDH1A1KDM4EADRA2CHTR1AADRA2A
Ethylene SCHEMBL173231 0.83 ALDH1A1 (0.49) ALDH1A1KDM4EADRA2CHTR1AADRA2A
SCHEMBL3744643 0.83 ALDH1A1 (0.49) ALDH1A1KDM4EADRA2CHTR1AADRA2A
SCHEMBL12227223 0.81 KDM4E (0.64) ALDH1A1KDM4EADRA2CHTR1AADRA2A
SCHEMBL9625908 0.81 KDM4E (0.69) ALDH1A1KDM4EADRA2CHTR1AADRA2A
SCHEMBL1913608 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EADRA2CHTR1AADRA2A

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 9 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
US-5380654-A Process for the preparation of epoxides of means of microorganisms JAPAN ENERGY CORPORATION (JP) 1995-01-10 US disclosed
US-5376539-A Aerobic incubation of allyl phenyl ether with arthrobacter, brevibacterium, corynebacterium, pseudomonas or rhodococcus yields glycidyl phenyl ether NIPPON MINING CO., LTD. (JP) 1994-12-27 US disclosed
US-4188323-A B-ADRENOLYTIC, VASODILATOR A. MENARINI S.A.S. (IT) 1980-02-12 US disclosed
US-4188323-A B-ADRENOLYTIC, VASODILATOR A. MENARINI S.A.S. (IT) 1980-02-12 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 (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 ALDH1A1 412/4885KDM4E 4578/4885ADRA2C 468/4885

“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.