SCHEMBL2091763

SCHEMBL2091763

O=C(c1ccc(I)cc1)N1CC[N]CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.52
ALDH1A1 P00352 3/20 0.52
MGLL Q99685 1/20 0.51
L3MBTL3 Q96JM7 3/20 0.46
MAPK1 P28482 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK10 P53779 1/20 0.43
PHGDH O43175 2/20 0.42
POLB P06746 1/20 0.42
MLYCD O95822 1/20 0.42
MBTD1 Q05BQ5 1/20 0.42
TP53BP1 Q12888 1/20 0.42
L3MBTL4 Q8NA19 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TPMT P51580 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL2090354 0.93 HPGD (0.55) HPGDALDH1A1MGLLL3MBTL3MAPK1
SCHEMBL1424016 0.82 HPGD (0.69) HPGDALDH1A1MGLLL3MBTL3MAPK1
SCHEMBL1424454 0.82 HPGD (0.76) HPGDALDH1A1MGLLL3MBTL3MAPK1
SCHEMBL2092237 0.81 ALDH1A1 (0.64) HPGDALDH1A1MGLLPHGDHPOLB
SCHEMBL2095786 0.81 HSD11B1 (0.58) HPGDALDH1A1POLBL3MBTL1
SCHEMBL2091419 0.81 ALDH1A1 (0.65) HPGDALDH1A1MGLLPKM
SCHEMBL2097737 0.81 HPGD (0.70) HPGDALDH1A1MGLLL3MBTL3POLB
SCHEMBL396945 0.81 HPGD (0.66) HPGDALDH1A1L3MBTL3MAPK1POLB
SCHEMBL5137 0.81 CYP3A4 (0.54) HPGDALDH1A1POLBHSD17B10
SCHEMBL4009305 0.81 HPGD (0.80) HPGDALDH1A1L3MBTL3MAPK1MLYCD

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 3 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

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 HPGD 1951/4885ALDH1A1 412/4885MGLL 4672/4885

“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.