SCHEMBL2095174

SCHEMBL2095174

O=C(c1ccc(Br)cc1)N1CCC[N]CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.72
POLB P06746 1/20 0.59
ALDH1A1 P00352 2/20 0.55
L3MBTL3 Q96JM7 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
MAPT P10636 1/20 0.48
ABL1 P00519 2/20 0.48
BCR P11274 2/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.47
EPHX2 P34913 1/20 0.47
THRB P10828 1/20 0.47
GPR183 P32249 1/20 0.47
MGLL Q99685 1/20 0.47

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
SCHEMBL2097737 0.93 HPGD (0.70) HPGDPOLBALDH1A1L3MBTL3L3MBTL1
SCHEMBL644199 0.84 HPGD (0.92) HPGDPOLBALDH1A1L3MBTL3L3MBTL1
SCHEMBL971083 0.84 HPGD (1.00) HPGDPOLBALDH1A1L3MBTL3L3MBTL1
SCHEMBL2091669 0.84 ALDH1A1 (0.57) HPGDALDH1A1MAPTLMNAKMT2A
SCHEMBL2099197 0.84 KMT2A (0.59) HPGDPOLBALDH1A1CA12CA1
SCHEMBL2096241 0.84 HPGD (0.55) HPGDPOLBALDH1A1L3MBTL1CA12
SCHEMBL2090354 0.84 HPGD (0.55) HPGDALDH1A1L3MBTL3L3MBTL1CA12
SCHEMBL24185725 0.83 HPGD (0.96) HPGDPOLBALDH1A1L3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL21590292 0.83 HPGD (0.89) HPGDPOLBALDH1A1L3MBTL3L3MBTL1
SCHEMBL969583 0.83 HPGD (0.96) HPGDPOLBALDH1A1L3MBTL3L3MBTL1

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 HPGD 1951/4885POLB 757/4885ALDH1A1 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.